Summary

IMPPAT Phytochemical identifier: IMPHY008748

Phytochemical name: 1-(7-Hydroxy-8-methoxy-2,2-dimethylchromen-6-yl)ethanone

Synonymous chemical names:
ripariochromene a

External chemical identifiers:
CID:12314885, SureChEMBL:SCHEMBL14363860

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Chemical structure information

SMILES:
COc1c2OC(C)(C)C=Cc2cc(c1O)C(=O)C

InChI:
InChI=1S/C14H16O4/c1-8(15)10-7-9-5-6-14(2,3)18-12(9)13(17-4)11(10)16/h5-7,16H,1-4H3

InChIKey:
LJJCHKIUOGODJO-UHFFFAOYSA-N

DeepSMILES:
COccOCC)C)C=Cc6ccc%10O))C=O)C

Functional groups:
cC(C)=O, cC=CC, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=Cc2ccccc2OC1

Scaffold Graph/Node level:
C1CCC2OCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzopyrans

ClassyFire Subclass: 1-benzopyrans

NP-Likeness score: 2.264

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Chemical structure download