Summary

IMPPAT Phytochemical identifier: IMPHY013500

Phytochemical name: Leptorumol

Synonymous chemical names:
leptorumol

External chemical identifiers:
CID:56683359, ChEMBL:CHEMBL1802146, ChEBI:67370, ZINC:ZINC000013484903

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Chemical structure information

SMILES:
Cc1c(O)c(C)c2c(c1O)c(=O)cco2

InChI:
InChI=1S/C11H10O4/c1-5-9(13)6(2)11-8(10(5)14)7(12)3-4-15-11/h3-4,13-14H,1-2H3

InChIKey:
OWGYZWMBXRFUQP-UHFFFAOYSA-N

DeepSMILES:
CccO)cC)ccc6O))c=O)cco6

Functional groups:
c=O, cO, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1ccoc2ccccc12

Scaffold Graph/Node level:
OC1CCOC2CCCCC12

Scaffold Graph level:
CC1CCCC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzopyrans

ClassyFire Subclass: 1-benzopyrans

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Chromanes

NP Classifier Class: Chromones

NP-Likeness score: 1.663

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Chemical structure download