KNApSAcK Metabolite Information

input word = C00019064

Metabolite Information

Structural formula

Name

Oleanolic acid
Astrantiagenin C
Virgaureagenin B
3beta-Hydroxyolean-12-en-28-oic acid

Formula

C30H48O3

456.3603454

CAS RN

508-02-1

C_ID

C00019064 ,

InChIKey

MIJYXULNPSFWEK-GYQWOJAJNA-N

InChICode

InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23+,27+,28-,29-,30+/m1/s1

SMILES

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

Start Substs in Alk. Biosynthesis (Prediction)

Organism

Kingdom	Family	Species	Reference
Plantae	Acanthaceae	Blepharis sindica	Ref.
Plantae	Alliaceae	Allium cepa	Ref.
Plantae	Amaranthaceae	Achyranthes aspera	Ref.
Plantae	Amaranthaceae	Achyranthes bidentata	Ref.
Plantae	Anacardiaceae	Pistacia terebinthus L.	Ref.
Plantae	Apiaceae	Astrantia major	Ref.
Plantae	Apiaceae	Foeniculum vulgare	Ref.
Plantae	Apocynaceae	Nerium oleander	Ref.
Plantae	Apocynaceae	Plumeria obtusa L.	Ref.
Plantae	Aquifoliaceae	Ilex asprella	Ref.
Plantae	Aquifoliaceae	Ilex pubescens	Ref.
Plantae	Araliaceae	Acanthopanax senticosus	Ref.
Plantae	Araliaceae	Acanthopanax sessiliflorus	Ref.
Plantae	Araliaceae	Aralia chinensis	Ref.
Plantae	Araliaceae	Aralia cordata	Ref.
Plantae	Araliaceae	Aralia elata	Ref.
Plantae	Araliaceae	Panax ginseng	Ref.
Plantae	Aristolochiaceae	Aristolochia manshuriensis	Ref.
Plantae	Asteraceae	Baccharis heterophylla	Ref.
Plantae	Asteraceae	Baccharis salicina	Ref.
Plantae	Asteraceae	Baccharis sarothroides	Ref.
Plantae	Asteraceae	Baccharis vaccinoides	Ref.
Plantae	Asteraceae	Calendula officinalis	Ref.
Plantae	Asteraceae	Centaurea cachanahuen	Ref.
Plantae	Asteraceae	Helichrysum forskahlii	Ref.
Plantae	Asteraceae	Inula cappa	Ref.
Plantae	Asteraceae	Senecio burtonii	Ref.
Plantae	Asteraceae	Viguiera decurrens	Ref.
Plantae	Bignoniaceae	Campsis grandiflora	Ref.
Plantae	Bignoniaceae	Newbouldia laevis	Ref.
Plantae	Cactaceae	Stenocereus eruca	Ref.
Plantae	Caprifoliaceae/Diervillaceae/Dipsacaceae/Linnaeaceae/Valerianaceae	Lonicera nigra	Ref.
Plantae	Caryophyllaceae	Gypsophila struthium	Ref.
Plantae	Chenopodiaceae	Beta vulgaris	Ref.
Plantae	Chrysobalanaceae	Couepia polyandra	Ref.
Plantae	Clusiaceae-Guttiferae	Symphonia globulifera Linn f.	Ref.
Plantae	Clusiaceae/Clusiaceae-Guttiferae	Garcinia polyantha	Ref.
Plantae	Clusiaceae/Clusiaceae-Guttiferae	Garcinia vilersiana	Ref.
Plantae	Combretaceae	Terminalia superba	Ref.
Plantae	Convallariaceae	Liriope muscari	Ref.
Plantae	Convallariaceae	Ophiopogon japonicus	Ref.
Plantae	Cornaceae/Aucubaceae/Garryaceae/Helwingiaceae	Cornus officinalis	Ref.
Plantae	Cucurbitaceae	Momordica cochinchinensis	Ref.
Plantae	Dipsacaceae	Cephalaria transsylvanica	Ref.
Plantae	Dipsacaceae/Diervillaceae/Linnaeaceae/Valerianaceae	Scabiosa soongorica	Ref.
Plantae	Dipterocarpaceae	Dryobalanops aromatica	Ref.
Plantae	Ebenaceae	Diospyros castanea	Ref.
Plantae	Ebenaceae	Diospyros cauliflora	Ref.
Plantae	Ebenaceae	Diospyros curranii	Ref.
Plantae	Ebenaceae	Diospyros evena	Ref.
Plantae	Ebenaceae	Diospyros kaki	Ref.
Plantae	Ebenaceae	Diospyros malanonilau	Ref.
Plantae	Ebenaceae	Diospyros melanoxylon	Ref.
Plantae	Ebenaceae	Diospyros montana	Ref.
Plantae	Ebenaceae	Diospyros moonii	Ref.
Plantae	Ebenaceae	Diospyros oblongifolia	Ref.
Plantae	Ebenaceae	Diospyros peregrina	Ref.
Plantae	Ebenaceae	Diospyros tomentosa	Ref.
Plantae	Ebenaceae	Diospyros zombensis	Ref.
Plantae	Elaeagnaceae	Elaeagnus angustifolia	Ref.
Plantae	Ericaceae	Enkianthus cernuus	Ref.
Plantae	Ericaceae	Leucothoe grayana Max.	Ref.
Plantae	Ericaceae	Pieris japonica D.Don.	Ref.
Plantae	Ericaceae	Pyrola japonica	Ref.
Plantae	Euphorbiaceae	Euphorbia paralias	Ref.
Plantae	Euphorbiaceae	Neoboutonia glabrescens Prain	Ref.
Plantae	Fabaceae	Albizzia lebbeck	Ref.
Plantae	Fabaceae	Cassia siamea Lamk.	Ref.
Plantae	Fabaceae	Erythrina indica	Ref.
Plantae	Fabaceae	Erythrina senegalensis	Ref.
Plantae	Fabaceae	Eysenhardtia platycarpa	Ref.
Plantae	Fabaceae	Gleditsia sinensis	Ref.
Plantae	Fabaceae	Lupinus albus	Ref.
Plantae	Fabaceae	Medicago truncatula	Ref.
Plantae	Fabaceae	Prosopis glandulosa	Ref.
Plantae	Fabaceae	Psorothamnus arborescens	Ref.
Plantae	Gentianaceae	Gentiana loureirii	Ref.
Plantae	Gentianaceae	Swertia mileensis	Ref.
Plantae	Gentianaceae	Swertia mussotii	Ref.
Plantae	Gentianaceae	Swertia randaiensis	Ref.
Plantae	Gentianaceae	Tripterospermum taiwanense	Ref.
Plantae	Icacinaceae	Gonocaryum calleryanum	Ref.
Plantae	Juglandaceae	Engelhardia roxburghiana	Ref.
Plantae	Labiatae	Agastache rugosus	Ref.
Plantae	Labiatae	Ballota limbata	Ref.
Plantae	Labiatae	Callicarpa arborea	Ref.
Plantae	Labiatae	Dracocephalum kotschyi	Ref.
Plantae	Labiatae	Hyptis capitata	Ref.
Plantae	Labiatae	Isodon japonica	Ref.
Plantae	Labiatae	Isodon phyllostachys	Ref.
Plantae	Labiatae	Lavandula canariensis	Ref.
Plantae	Labiatae	Leucas cephalotes SPRENG.	Ref.
Plantae	Labiatae	Marsypianthes chamaedrys	Ref.
Plantae	Labiatae	Meriandra benghalensis	Ref.
Plantae	Labiatae	Ocimum basilicum	Ref.
Plantae	Labiatae	Ocimum spicatum	Ref.
Plantae	Labiatae	Orthosiphon stamineus	Ref.
Plantae	Labiatae	Perilla frutescens (L.) Britton var.japonica Hara	Ref.
Plantae	Labiatae	Prunella vulgaris	Ref.
Plantae	Labiatae	Salvia amplexicaulis Lam.	Ref.
Plantae	Labiatae	Salvia breviflora	Ref.
Plantae	Labiatae	Salvia canariensis L.	Ref.
Plantae	Labiatae	Salvia hydrangea	Ref.
Plantae	Labiatae	Salvia nicolsoniana	Ref.
Plantae	Labiatae	Salvia officinalis	Ref.
Plantae	Labiatae	Salvia syriaca L.	Ref.
Plantae	Labiatae	Satureja montana	Ref.
Plantae	Labiatae	Satureja obovata	Ref.
Plantae	Labiatae	Sideritis candicans var.eriocephala	Ref.
Plantae	Labiatae	Sideritis discolor	Ref.
Plantae	Labiatae	Sideritis lotsyi var. mascaensis	Ref.
Plantae	Labiatae	Sideritis soluta	Ref.
Plantae	Labiatae	Thymus vulgaris	Ref.
Plantae	Lamiaceae	Rabdosia rubescens	Ref.
Plantae	Lardizabalaceae	Akebia quinata	Ref.
Plantae	Lardizabalaceae	Stauntonia hexahylla	Ref.
Plantae	Longaniaceae	Strychnos potatorum	Ref.
Plantae	Loranthaceae	Loranthus falcatus	Ref.
Plantae	Loranthaceae	Loranthus parasiticus	Ref.
Plantae	Lythraceae	Punica granatum LINN.	Ref.
Plantae	Malpighiaceae	Acridocarpus vivy	Ref.
Plantae	Malvaceae	Helicteres angustifolia	Ref.
Plantae	Malvaceae	Scaphopetalum thonneri	Ref.
Plantae	Melastomataceae	Melastoma intermedium	Ref.
Plantae	Meliaceae	Ekebergia capensis	Ref.
Plantae	Melianthaceae	Bersama swinyi	Ref.
Plantae	Moraceae	Broussonetia kazinoki	Ref.
Plantae	Myrtaceae	Eucalyptus camaldulensis var.obtusa	Ref.
Plantae	Myrtaceae	Eucalyptus occidentalis	Ref.
Plantae	Myrtaceae	Syzygium aromatica	Ref.
Plantae	Myrtaceae	Syzygium aromaticum	Ref.
Plantae	Myrtaceae	Syzygium claviflorum	Ref.
Plantae	Myrtaceae	Syzygium cumini	Ref.
Plantae	Myrtaceae	Syzygium formosanum	Ref.
Plantae	Nothofagaceae/Fagaceae	Nothofagus pumilio	Ref.
Plantae	Oleaceae	Forsythia suspensa	Ref.
Plantae	Oleaceae	Ligustrum lucidum	Ref.
Plantae	Oleaceae	Nyctanthes arbor-tristis Linn.	Ref.
Plantae	Oleaceae	Olea europaea	Ref.
Plantae	Onagraceae	Ludwigia octovalvis	Ref.
Plantae	Phytolaccaceae	Phytolacca americana	Ref.
Plantae	Plantaginaceae	Plantago asiatica	Ref.
Plantae	Plantaginaceae	Plantago depressa	Ref.
Plantae	Plantaginaceae	Plantago major	Ref.
Plantae	Putranjivaceae	Drypetes inaequalis	Ref.
Plantae	Rhamnaceae	Ziziphus jujuba	Ref.
Plantae	Rhamnaceae	Ziziphus jujuba var.spinosa	Ref.
Plantae	Rhizophoraceae	Ceriops tagal	Ref.
Plantae	Rosaceae	Chaenomeles japonica	Ref.
Plantae	Rosaceae	Chaenomeles lagenaria	Ref.
Plantae	Rosaceae	Chaenomeles sinensis	Ref.
Plantae	Rosaceae	Malus doumeri varl formosana	Ref.
Plantae	Rosaceae	Photinia serrulata	Ref.
Plantae	Rosaceae	Prunus avium	Ref.
Plantae	Rosaceae	Rosa woodsii	Ref.
Plantae	Rubiaceae	Chiococca alba	Ref.
Plantae	Rubiaceae	Coussarea paniculata	Ref.
Plantae	Rubiaceae	Morinda citrifolia L.	Ref.
Plantae	Rubiaceae	Oldenlandia diffusa	Ref.
Plantae	Rubiaceae	Paederia scandens	Ref.
Plantae	Rubiaceae	Rubia cordifolia L.	Ref.
Plantae	Rutaceae	Oricia suaveolens	Ref.
Plantae	Rutaceae	Oriciopsis glaberrima ENGL.	Ref.
Plantae	Santalaceae	Viscum articulactum	Ref.
Plantae	Santalaceae	Viscum articulatum	Ref.
Plantae	Santalaceae	Viscum coloratum	Ref.
Plantae	Sapindaceae	Xanthoceras sorbifolia	Ref.
Plantae	Saxifragaceae	Aceriphyllum rossii	Ref.
Plantae	Stilbaceae	Nuxia sphaerocephala	Ref.
Plantae	Symplocaceae	Symplocos racemosa	Ref.
Plantae	Taxodiaceae	Taxodium lanceolata	Ref.
Plantae	Theaceae/Pentaphylacaceae/Ternstroemiaceae	Ternstroemia gymnanthera	Ref.
Plantae	Trochodendraceae/Tetracentraceae	Tetracentron sinense	Ref.
Plantae	Ulmaceae	Ulmus pumila L.	Ref.
Plantae	Valerianaceae/Linnaeaceae/Dipsacaceae/Diervillaceae	Centranthus longiflorus ssp. longiflorus	Ref.
Plantae	Valerianaceae/Linnaeaceae/Dipsacaceae/Diervillaceae	Patrinia scabiosaefolia	Ref.
Plantae	Valerianaceae/Linnaeaceae/Dipsacaceae/Diervillaceae	Valeriana laxiflora	Ref.
Plantae	Verbenaceae	Junellia tridens	Ref.
Plantae	Verbenaceae	Verbena littoralis	Ref.
-	-	Chamaenerion angustifolium	Ref.
-	-	Clerodendranthus spicatus	Ref.
-	-	Ficaria verna Hudson	Ref.
-	-	Phoradendron juniperinum	Ref.
-	-	Ternstromia gymnanthera	Ref.

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Organism	Cassia siamea Lamk.
Reference	El-Sayyed,J.Nat.Prod.,47,(1984),708 Bycroft,J.Chem.Soc.,C,(1970),1686 Mallick,Phytochem.,25,(1986),1727 Dutta,Tetrahedron Lett.,(1964),3023 Varshney,J.Indian Chem.Soc.,54,(1977),548