Summary

IMPPAT Phytochemical identifier: IMPHY003056

Phytochemical name: Coccuvine

Synonymous chemical names:
coccuvine

External chemical identifiers:
CID:3085221, ZINC:ZINC000014929114

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Chemical structure information

SMILES:
CO[C@H]1C=CC2=CCN3[C@]2(C1)c1cc(O)ccc1CC3

InChI:
InChI=1S/C17H19NO2/c1-20-15-5-3-13-7-9-18-8-6-12-2-4-14(19)10-16(12)17(13,18)11-15/h2-5,7,10,15,19H,6,8-9,11H2,1H3/t15?,17-/m0/s1

InChIKey:
JOSCYUYFHFXDCA-LWKPJOBUSA-N

DeepSMILES:
CO[C@H]C=CC=CCN[C@]5C9)cccO)ccc6CC%10

Functional groups:
CC=C(C)C=CC, CN(C)C, COC, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2=CCN3CCc4ccccc4C23CC1

Scaffold Graph/Node level:
C1CCC2C(C1)CCN1CCC3CCCCC321

Scaffold Graph level:
C1CCC2C(C1)CCC1CCC3CCCCC312

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Erythrina alkaloids

ClassyFire Subclass: Erythrinanes

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Lysine alkaloids

NP Classifier Class: Indolizidine alkaloids

NP-Likeness score: 2.885

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Chemical structure download