Summary

IMPPAT Phytochemical identifier: IMPHY007371

Phytochemical name: Cepharadione A

Synonymous chemical names:
cephaeradione a, cepharadione a

External chemical identifiers:
CID:94577, ChEMBL:CHEMBL235921, ChEBI:174924, ZINC:ZINC000001632198, MolPort-039-141-841

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Chemical structure information

SMILES:
O=C1N(C)c2cc3ccccc3c3c2c(C1=O)cc1c3OCO1

InChI:
InChI=1S/C18H11NO4/c1-19-12-6-9-4-2-3-5-10(9)15-14(12)11(16(20)18(19)21)7-13-17(15)23-8-22-13/h2-7H,8H2,1H3

InChIKey:
RZIGKFTVXWUUCX-UHFFFAOYSA-N

DeepSMILES:
O=CNC)cccccccc6cc%10cC%14=O))ccc6OCO5

Functional groups:
c1cOCO1, cC(=O)C(=O)N(c)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1Nc2cc3ccccc3c3c4c(cc(c23)C1=O)OCO4

Scaffold Graph/Node level:
OC1NC2CC3CCCCC3C3C4OCOC4CC(C1O)C23

Scaffold Graph level:
CC1CC2CC3CCCCC3C3C4CCCC4CC(C1C)C23

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Aporphines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Aporphine alkaloids

NP-Likeness score: 1.011

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Chemical structure download