Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID012600

Phytochemical name: 2-Phenylfuro[2,3-h]chromen-4-one

Synonymous chemical names:
lanceolatin- b, lanceolatin-b, lanceolatin b, Lanceolatin B

External chemical identifiers:
CID:CID_10978265, ChEMBL:CHEMBL224157, ZINC:ZINC000028642532, SureChEMBL:SCHEMBL1161113, MolPort-006-668-657

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Chemical structure information

SMILES:
O=c1cc(oc2c1ccc1c2cco1)c1ccccc1

InChI:
InChI=1S/C17H10O3/c18-14-10-16(11-4-2-1-3-5-11)20-17-12(14)6-7-15-13(17)8-9-19-15/h1-10H

InChIKey:
NQNOTBRHBRJKKH-UHFFFAOYSA-N

DeepSMILES:
O=cccocc6cccc6cco5))))))))))cccccc6

Functional groups:
c=O, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccccc2)oc2c1ccc1occc12

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2C1CCC1OCCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2C1CCC1CCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Flavones

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavones

NP-Likeness score: 0.742

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Chemical structure download