Summary

IMPPAT Phytochemical identifier: IMPHY005924

Phytochemical name: Precondylocarpine

Synonymous chemical names:
precondylocarpine

External chemical identifiers:
CID:5378966

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Chemical structure information

SMILES:
C/C=C1/C2CCN3C1C1(C(=Nc4c1cccc4)C2(CO)C(=O)OC)CC3

InChI:
InChI=1S/C21H24N2O3/c1-3-13-14-8-10-23-11-9-20(17(13)23)15-6-4-5-7-16(15)22-18(20)21(14,12-24)19(25)26-2/h3-7,14,17,24H,8-12H2,1-2H3/b13-3-

InChIKey:
KZCSMXZSWDQLPI-DXNYSGJVSA-N

DeepSMILES:
C/C=C/CCCNC/6CC=Ncc5cccc6)))))))C8CO))C=O)OC)))))CC5

Functional groups:
C/C=C(C)C, CN(C)C, CO, COC(C)=O, cN=C(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C2CCN3CCC4(C(=Nc5ccccc54)C2)C13

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: Aspidosperma type, Corynanthe type

NP-Likeness score: 1.771

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Chemical structure download