KNApSAcK Metabolite Information

input word = C00003741

Metabolite Information

Structural formula

Name

Betulinic acid

Formula

C30H48O3

456.3603454

CAS RN

472-15-1

C_ID

C00003741 ,

InChIKey

QGJZLNKBHJESQX-VIXGVLKJNA-N

InChICode

InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1

SMILES

C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2([C@H](CC1)[C@@H]1[C@@](CC2)(CC[C@H]1C(=C)C)C(=O)O)C)C)C)(C)C)O

Start Substs in Alk. Biosynthesis (Prediction)

Organism

Kingdom	Family	Species	Reference
Plantae	Annonaceae	Goniothalamus thwaitesii	Ref.
Plantae	Apocynaceae	Nerium oleander	Ref.
Plantae	Apocynaceae	Plumeria obtusa	Ref.
Plantae	Araceae	Arum maculatum L.	Ref.
Plantae	Asteraceae	Cichorium intybus	Ref.
Plantae	Betulaceae	Betula utilis	Ref.
Plantae	Cactaceae	Stenocereus eruca	Ref.
Plantae	Campanulaceae	Clermontia fauriei	Ref.
Plantae	Caryophyllaceae	Gypsophila struthium	Ref.
Plantae	Chrysobalanaceae	Couepia polyandra	Ref.
Plantae	Clusiaceae-Guttiferae	Tovomita brasiliensis	Ref.
Plantae	Clusiaceae/Clusiaceae-Guttiferae	Clusia nemorosa	Ref.
Plantae	Clusiaceae/Clusiaceae-Guttiferae	Garcinia dulcis	Ref.
Plantae	Combretaceae	Terminalia superba	Ref.
Plantae	Cornaceae	Camptotheca acuminata	Ref.
Plantae	Cornaceae/Aucubaceae/Garryaceae/Helwingiaceae	Cornus florida L.	Ref.
Plantae	Cornaceae/Aucubaceae/Garryaceae/Helwingiaceae	Cornus officinalis	Ref.
Plantae	Dichapetalaceae	Dichapetalum gelonioides	Ref.
Plantae	Dilleniaceae	Dillenia serrata	Ref.
Plantae	Dilleniaceae	Tetracera boiviniana	Ref.
Plantae	Dipterocarpaceae	Vatica cinerea	Ref.
Plantae	Ebenaceae	Diospyros abyssinica	Ref.
Plantae	Ebenaceae	Diospyros alboflavescens	Ref.
Plantae	Ebenaceae	Diospyros argentea	Ref.
Plantae	Ebenaceae	Diospyros bipindensis	Ref.
Plantae	Ebenaceae	Diospyros buxifolia	Ref.
Plantae	Ebenaceae	Diospyros canaliculata	Ref.
Plantae	Ebenaceae	Diospyros candalleana	Ref.
Plantae	Ebenaceae	Diospyros castanea	Ref.
Plantae	Ebenaceae	Diospyros cauliflora	Ref.
Plantae	Ebenaceae	Diospyros chevalieri	Ref.
Plantae	Ebenaceae	Diospyros chloroxylon	Ref.
Plantae	Ebenaceae	Diospyros cinnabarina	Ref.
Plantae	Ebenaceae	Diospyros consolatae	Ref.
Plantae	Ebenaceae	Diospyros cornii	Ref.
Plantae	Ebenaceae	Diospyros crassiflora	Ref.
Plantae	Ebenaceae	Diospyros curranii	Ref.
Plantae	Ebenaceae	Diospyros dendo	Ref.
Plantae	Ebenaceae	Diospyros diepenhorstii	Ref.
Plantae	Ebenaceae	Diospyros discolor	Ref.
Plantae	Ebenaceae	Diospyros ebenum	Ref.
Plantae	Ebenaceae	Diospyros ehretioides	Ref.
Plantae	Ebenaceae	Diospyros elliptifolia	Ref.
Plantae	Ebenaceae	Diospyros embryopteris	Ref.
Plantae	Ebenaceae	Diospyros eriantha	Ref.
Plantae	Ebenaceae	Diospyros evena	Ref.
Plantae	Ebenaceae	Diospyros exsculpta	Ref.
Plantae	Ebenaceae	Diospyros ferrea	Ref.
Plantae	Ebenaceae	Diospyros fragrans	Ref.
Plantae	Ebenaceae	Diospyros gabunensis	Ref.
Plantae	Ebenaceae	Diospyros gilleti	Ref.
Plantae	Ebenaceae	Diospyros gracilescens	Ref.
Plantae	Ebenaceae	Diospyros greeniway	Ref.
Plantae	Ebenaceae	Diospyros guianensis	Ref.
Plantae	Ebenaceae	Diospyros hirsuta	Ref.
Plantae	Ebenaceae	Diospyros hoyleana	Ref.
Plantae	Ebenaceae	Diospyros ismailii	Ref.
Plantae	Ebenaceae	Diospyros iturensis	Ref.
Plantae	Ebenaceae	Diospyros kaki	Ref.
Plantae	Ebenaceae	Diospyros kaki var.sylvestris	Ref.
Plantae	Ebenaceae	Diospyros kamerunensis	Ref.
Plantae	Ebenaceae	Diospyros leucomelas	Ref.
Plantae	Ebenaceae	Diospyros longiflora	Ref.
Plantae	Ebenaceae	Diospyros lotus	Ref.
Plantae	Ebenaceae	Diospyros mafiensis	Ref.
Plantae	Ebenaceae	Diospyros maingayi	Ref.
Plantae	Ebenaceae	Diospyros malanonilau	Ref.
Plantae	Ebenaceae	Diospyros mannii	Ref.
Plantae	Ebenaceae	Diospyros maritima	Ref.
Plantae	Ebenaceae	Diospyros melanoxylon	Ref.
Plantae	Ebenaceae	Diospyros mespiliformis	Ref.
Plantae	Ebenaceae	Diospyros monobuttensis	Ref.
Plantae	Ebenaceae	Diospyros montana	Ref.
Plantae	Ebenaceae	Diospyros moonii	Ref.
Plantae	Ebenaceae	Diospyros morrisiana	Ref.
Plantae	Ebenaceae	Diospyros natalensis	Ref.
Plantae	Ebenaceae	Diospyros obliquifolia	Ref.
Plantae	Ebenaceae	Diospyros palmeri	Ref.
Plantae	Ebenaceae	Diospyros peregrina	Ref.
Plantae	Ebenaceae	Diospyros pseudo-malabarica	Ref.
Plantae	Ebenaceae	Diospyros quaesita	Ref.
Plantae	Ebenaceae	Diospyros rhodocalyx	Ref.
Plantae	Ebenaceae	Diospyros sanza-minika	Ref.
Plantae	Ebenaceae	Diospyros siamang	Ref.
Plantae	Ebenaceae	Diospyros siamensis	Ref.
Plantae	Ebenaceae	Diospyros siderophylla	Ref.
Plantae	Ebenaceae	Diospyros singaporensis	Ref.
Plantae	Ebenaceae	Diospyros spinescens	Ref.
Plantae	Ebenaceae	Diospyros sumatrana	Ref.
Plantae	Ebenaceae	Diospyros sylvatica	Ref.
Plantae	Ebenaceae	Diospyros thwaitesii	Ref.
Plantae	Ebenaceae	Diospyros tomentosa	Ref.
Plantae	Ebenaceae	Diospyros verrucosa	Ref.
Plantae	Ebenaceae	Diospyros virginiana	Ref.
Plantae	Ebenaceae	Diospyros walkeri	Ref.
Plantae	Ebenaceae	Diospyros wallichii	Ref.
Plantae	Ebenaceae	Diospyros zenkeri	Ref.
Plantae	Ericaceae	Enkianthus cernuus	Ref.
Plantae	Ericaceae	Epigaea asiatica	Ref.
Plantae	Ericaceae	Leucothoe grayana Max.	Ref.
Plantae	Ericaceae	Pieris japonica D.Don.	Ref.
Plantae	Ericaceae	Rhododendron arboreum	Ref.
Plantae	Euphorbiaceae	Euphorbia micractina	Ref.
Plantae	Fabaceae	Acacia mellifera	Ref.
Plantae	Fabaceae	Bauhinia vahlii L.	Ref.
Plantae	Fabaceae	Eysenhardtia platycarpa	Ref.
Plantae	Fabaceae	Harpalyce brasiliana	Ref.
Plantae	Fabaceae	Hedysarum multijugum	Ref.
Plantae	Fabaceae	Lespedeza bicolor	Ref.
Plantae	Fabaceae	Lupinus albus	Ref.
Plantae	Fabaceae	Pongamia pinnata	Ref.
Plantae	Hypericaceae	Harungana madagascariensis	Ref.
Plantae	Hypericaceae	Psorospermum glaberrimum	Ref.
Plantae	Labiatae	Ocimum basilicum	Ref.
Plantae	Labiatae	Orthosiphon stamineus	Ref.
Plantae	Labiatae	Rosmarinus officinalis L.	Ref.
Plantae	Labiatae	Salvia nicolsoniana	Ref.
Plantae	Lardizabalaceae	Stauntonia hexahylla	Ref.
Plantae	Lauraceae	Beilschmiedia zenkeri	Ref.
Plantae	Lecythidaceae	Gustavia hexapetala	Ref.
Plantae	Lythraceae	Punica granatum	Ref.
Plantae	Malvaceae	Adansonia digitata	Ref.
Plantae	Malvaceae	Helicteres angustifolia	Ref.
Plantae	Melastomataceae	Henriettella fascicularis	Ref.
Plantae	Moraceae	Morus australis	Ref.
Plantae	Myrtaceae	Eucalyptus camaldulensis var.obtusa	Ref.
Plantae	Myrtaceae	Eucalyptus citriodora	Ref.
Plantae	Myrtaceae	Eugenia sandwicensis	Ref.
Plantae	Myrtaceae	Melaleuca ericifolia	Ref.
Plantae	Myrtaceae	Melaleuca leucadendron	Ref.
Plantae	Myrtaceae	Syzygium cumini	Ref.
Plantae	Myrtaceae	Syzygium formosanum	Ref.
Plantae	Oleaceae	Jasminum lanceolarium	Ref.
Plantae	Oleaceae	Olea europaea	Ref.
Plantae	Paeoniaceae	Paeonia suffruticosa	Ref.
Plantae	Phyllanthaceae	Phyllanthus reticulatus	Ref.
Plantae	Piperaceae	Peperomia sui	Ref.
Plantae	Plantaginaceae	Adenosma caeruleum	Ref.
Plantae	Plantaginaceae	Scoparia dulcis L.	Ref.
Plantae	Plantaginaceae	Stemodia foliosa	Ref.
Plantae	Platanaceae	Platanus occidentalis	Ref.
Plantae	Polygonaceae	Coccoloba excoriata	Ref.
Plantae	Ranunculaceae	Anemone rivularis	Ref.
Plantae	Rhamnaceae	Alphitonia excelsa Boiss.	Ref.
Plantae	Rhamnaceae	Alphitonia petriei Braid et White.	Ref.
Plantae	Rhamnaceae	Alphitonia whitei Braid	Ref.
Plantae	Rhamnaceae	Alphitonia zizyphoides	Ref.
Plantae	Rhamnaceae	Ziziphus cambodiana	Ref.
Plantae	Rhamnaceae	Ziziphus jujuba	Ref.
Plantae	Rhamnaceae	Ziziphus jujuba var.spinosa	Ref.
Plantae	Rhamnaceae	Zizyphus joazeiro	Ref.
Plantae	Rhamnaceae	Zizyphus vulgaris	Ref.
Plantae	Rhizophoraceae	Ceriops tagal	Ref.
Plantae	Rosaceae	Chaenomeles sinensis KOEHNE	Ref.
Plantae	Rubiaceae	Coussarea paniculata	Ref.
Plantae	Rubiaceae	Psychotria adenophylla	Ref.
Plantae	Rutaceae	Fagara tessmannii Engl.	Ref.
Plantae	Santalaceae	Viscum coloratum	Ref.
Plantae	Sapindaceae	Schleichera oleosa	Ref.
Plantae	Theaceae/Pentaphylacaceae/Ternstroemiaceae	Ternstroemia cherryi	Ref.
Plantae	Theaceae/Pentaphylacaceae/Ternstroemiaceae	Ternstroemia gymnanthera	Ref.
Plantae	Theaceae/Pentaphylacaceae/Ternstroemiaceae	Ternstroemia merrilliana	Ref.
Plantae	Trochodendraceae/Tetracentraceae	Tetracentron sinense	Ref.
Plantae	Valerianaceae/Linnaeaceae/Dipsacaceae/Diervillaceae	Valeriana laxiflora	Ref.
-	-	Machaerocereus eruca	Ref.
-	-	Moldenhavera nutans	Ref.
-	-	Syzigium claviflorum	Ref.
-	-	Zizphus cambodiana	Ref.

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Organism

Valeriana laxiflora

Reference

Lee, et al., Planta Med, 69, (2003), 1051.

Chen, Liu, et al., Determination of Effective Components in Traditional Chinese medicines, People's Medical Publishing House, Beijing, (2009).

Deachathai, et al., Phytochemistry, 66, (2005), 2368.

Gu, et al., Planta Med, 70, (2004), 509.

Kinghorn, et al., Planta Med, 70, (2004), 691.

Carcache-Blanco, et al., Journal of Natural Products, 66, (2003), 1197.

Mutai, et al., Phytochemistry, 65, (2004), 1159.

SUKSAMRARN, et al., Chem Pharm Bull, 54, (2006), 535.

Sun, et al., Brief Handbook of Natural Active Compounds, Medicinal Science and Technology Press of China, Beijing, (1998).

Chinese Materia Medica Editing Committee of the National Chinese Medicine and Pharmacology Bureau, Chinese Materia Medica (ZHONG HUA BEN CAO), Vol.1-Vol.30, Shanghai Science and technology Press, Shanghai, (1999).

Xu, et al., China Journal of Chinese Materia Medica(Zhongguo Zhongyao Zazhi), 22, (1997), 679.

Yin, et al., Modern Study of Chinese Drugs and Clinical Applications (1), Xueyuan Press, Beijing, (1993).

Wang, et al., Chinese Pharmaceutical Journal(Zhongguo Yaoxue Zazhi), 29, (1994), 268.

Xiong, et al., China Journal of Chinese Materia Medica(Zhongguo Zhongyao Zazhi), 18, (1993), 486.

Guo, et al., China Journal of Chinese Materia Medica(Zhongguo Zhongyao Zazhi), 23, (1998), 546.