Summary

IMPPAT Phytochemical identifier: IMPHY007745

Phytochemical name: Carpachromene

Synonymous chemical names:
carpachromene

External chemical identifiers:
CID:10449654, ChEMBL:CHEMBL4177103, ZINC:ZINC000013383651, MolPort-005-944-619

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Chemical structure information

SMILES:
Oc1ccc(cc1)c1cc(=O)c2c(o1)cc1c(c2O)C=CC(O1)(C)C

InChI:
InChI=1S/C20H16O5/c1-20(2)8-7-13-16(25-20)10-17-18(19(13)23)14(22)9-15(24-17)11-3-5-12(21)6-4-11/h3-10,21,23H,1-2H3

InChIKey:
YXOATFKTEDZPFL-UHFFFAOYSA-N

DeepSMILES:
Occcccc6))ccc=O)cco6)cccc6O))C=CCO6)C)C

Functional groups:
c=O, cC=CC, cO, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccccc2)oc2cc3c(cc12)C=CCO3

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CC3OCCCC3CC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CC3CCCCC3CC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Pyranoflavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavones

NP-Likeness score: 2.259

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Chemical structure download