Summary

IMPPAT Phytochemical identifier: IMPHY000064

Phytochemical name: (+)-Condylocarpine

Synonymous chemical names:
condylocarpine

External chemical identifiers:
CID:10914255, ZINC:ZINC000095884349

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Chemical structure information

SMILES:
COC(=O)C1=C2Nc3c([C@]42[C@H]2/C(=CC)/[C@@H]1CCN2CC4)cccc3

InChI:
InChI=1S/C20H22N2O2/c1-3-12-13-8-10-22-11-9-20(18(12)22)14-6-4-5-7-15(14)21-17(20)16(13)19(23)24-2/h3-7,13,18,21H,8-11H2,1-2H3/b12-3-/t13-,18+,20+/m0/s1

InChIKey:
BJAFGFIFFFKGKA-VHYXBIGDSA-N

DeepSMILES:
COC=O)C=CNcc[C@@]5[C@H]/C=CC))/[C@@H]9CCN6CC9)))))))))cccc6

Functional groups:
C/C=C(/C)C, CN(C)C, cNC(C)=C(C)C(=O)OC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C2C=C3Nc4ccccc4C34CCN(CC2)C14

Scaffold Graph/Node level:
CC1C2CCN3CCC4(C(C2)NC2CCCCC24)C13

Scaffold Graph level:
CC1C2CCC3CCC4(C(C2)CC2CCCCC24)C31

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Strychnos alkaloids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Corynanthe type, Strychnos type

NP-Likeness score: 1.431

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Chemical structure download