input word = C00001786

Metabolite InformationStructural formula
Name Vobasine
Formula C21H24N2O3
Mw 352.17869265
CAS RN 2134-83-0
C_ID C00001786 ,
InChIKey TYPMTMPLTVSOBU-XTDGOYHBNA-N
InChICode InChI=1S/C21H24N2O3/c1-4-12-11-23(2)17-9-15-13-7-5-6-8-16(13)22-20(15)18(24)10-14(12)19(17)21(25)26-3/h4-8,14,17,19,22H,9-11H2,1-3H3/b12-4-/t14-,17-,19+/m1/s1
SMILES c1cc2c(cc1)c1c([nH]2)C(=O)C[C@H]2[C@@H]([C@@H](C1)N(C/C/2=C/C)C)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeErvatamia hainanensis Ref.
PlantaeApocynaceaeErvatamia officinalis Ref.
PlantaeApocynaceaeHunteria zeylanica Ref.
PlantaeApocynaceaePeschiera lacta Ref.
PlantaeApocynaceaeTabernaemontana dichotoma Ref.
PlantaeApocynaceaeTabernaemontana elegans Stapf. Ref.
PlantaeApocynaceaeTabernaemontana odoratissima Ref.
PlantaeApocynaceaeTrachelospermum jasminoides Ref.
PlantaeApocynaceaeVoacanga africana Ref.
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OrganismTrachelospermum jasminoides
ReferenceSun, 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)