Summary

IMPPAT Phytochemical identifier: IMPHY010600

Phytochemical name: Gomezine

Synonymous chemical names:
apparicine, gomezine, tabernoschizine

External chemical identifiers:
CID:5320486

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Chemical structure information

SMILES:
C/C=C/1CN2CCC1C(=C)c1c(C2)c2c([nH]1)cccc2

InChI:
InChI=1S/C18H20N2/c1-3-13-10-20-9-8-14(13)12(2)18-16(11-20)15-6-4-5-7-17(15)19-18/h3-7,14,19H,2,8-11H2,1H3/b13-3+

InChIKey:
LCVACABZTLIWCE-QLKAYGNNSA-N

DeepSMILES:
C/C=CCNCCC6C=C)ccC8)cc[nH]5)cccc6

Functional groups:
C/C=C(/C)C, CN(C)C, cC(=C)C, c[nH]c

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CN2CCC1C(=C)c1[nH]c3ccccc3c1C2

Scaffold Graph/Node level:
CC1CN2CCC1C(C)C1NC3CCCCC3C1C2

Scaffold Graph level:
CC1CC2CCC1C(C)C1CC3CCCCC3C1C2

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Vallesaman alkaloids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Corynanthe type

NP-Likeness score: 1.839

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Chemical structure download