Summary

IMPPAT Phytochemical identifier: IMPHY004980

Phytochemical name: 2,3-Dihydro-4-hydroxy-2-(1-hydroxy-1-methylethyl)-7-methyl-5H-furo(3,2-g)(1)benzopyran-5-one

Synonymous chemical names:
visamminol

External chemical identifiers:
CID:5315249, FDASRS:QG0CYI2V83, SureChEMBL:SCHEMBL15536844

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Chemical structure information

SMILES:
Cc1cc(=O)c2c(o1)cc1c(c2O)CC(O1)C(O)(C)C

InChI:
InChI=1S/C15H16O5/c1-7-4-9(16)13-11(19-7)6-10-8(14(13)17)5-12(20-10)15(2,3)18/h4,6,12,17-18H,5H2,1-3H3

InChIKey:
LJSWMDKKEBOERP-UHFFFAOYSA-N

DeepSMILES:
Cccc=O)cco6)cccc6O))CCO5)CO)C)C

Functional groups:
CO, c=O, cO, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1ccoc2cc3c(cc12)CCO3

Scaffold Graph/Node level:
OC1CCOC2CC3OCCC3CC12

Scaffold Graph level:
CC1CCCC2CC3CCCC3CC12

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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: 2.76

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Chemical structure download