Summary

IMPPAT Phytochemical identifier: IMPHY001724

Phytochemical name: Homolycorine

Synonymous chemical names:
homolycorine

External chemical identifiers:
CID:160473, ChEMBL:CHEMBL1221973, SureChEMBL:SCHEMBL4373999

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Chemical structure information

SMILES:
COc1cc2[C@@H]3[C@@H](CC=C4[C@H]3N(C)CC4)OC(=O)c2cc1OC

InChI:
InChI=1S/C18H21NO4/c1-19-7-6-10-4-5-13-16(17(10)19)11-8-14(21-2)15(22-3)9-12(11)18(20)23-13/h4,8-9,13,16-17H,5-7H2,1-3H3/t13-,16-,17-/m1/s1

InChIKey:
WXZAKVLYZHWSNF-KBRIMQKVSA-N

DeepSMILES:
COccc[C@@H][C@@H]CC=C[C@H]6NC)CC5)))))))OC=O)c6cc%10OC

Functional groups:
CC=C(C)C, CN(C)C, cC(=O)OC, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1OC2CC=C3CCNC3C2c2ccccc21

Scaffold Graph/Node level:
OC1OC2CCC3CCNC3C2C2CCCCC12

Scaffold Graph level:
CC1CC2CCC3CCCC3C2C2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Amaryllidaceae alkaloids

ClassyFire Subclass: Homolycorine-type amaryllidaceae alkaloids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Amarylidaceae alkaloids

NP-Likeness score: 2.003

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Chemical structure download