Summary

IMPPAT Phytochemical identifier: IMPHY002865

Phytochemical name: Narceinone

Synonymous chemical names:
narceinone, narceinone(14-oxonarceine)

External chemical identifiers:
CID:14355673, ZINC:ZINC000014612406

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Chemical structure information

SMILES:
COc1c(OC)ccc(c1C(=O)O)C(=O)C(=O)c1c(CCN(C)C)cc2c(c1OC)OCO2

InChI:
InChI=1S/C23H25NO9/c1-24(2)9-8-12-10-15-21(33-11-32-15)22(31-5)16(12)19(26)18(25)13-6-7-14(29-3)20(30-4)17(13)23(27)28/h6-7,10H,8-9,11H2,1-5H3,(H,27,28)

InChIKey:
HXFMRYFLZVSZMP-UHFFFAOYSA-N

DeepSMILES:
COccOC))cccc6C=O)O)))C=O)C=O)ccCCNC)C))))cccc6OC)))OCO5

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(C(=O)c1ccc2c(c1)OCO2)c1ccccc1

Scaffold Graph/Node level:
OC(C1CCCCC1)C(O)C1CCC2OCOC2C1

Scaffold Graph level:
CC(C1CCCCC1)C(C)C1CCC2CCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Stilbenes

NP-Likeness score: 0.569

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Chemical structure download