Summary

IMPPAT Phytochemical identifier: IMPHY009295

Phytochemical name: Pratenol B

Synonymous chemical names:
pratenol b

External chemical identifiers:
CID:101641113, ChEBI:174905

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Chemical structure information

SMILES:
OC(=O)CC(=O)/C(=CC(=O)O)/C1=Cc2c(OC1)cc(cc2)O

InChI:
InChI=1S/C15H12O7/c16-10-2-1-8-3-9(7-22-13(8)4-10)11(5-14(18)19)12(17)6-15(20)21/h1-5,16H,6-7H2,(H,18,19)(H,20,21)/b11-5-

InChIKey:
WKBLWDNPQQYILN-WZUFQYTHSA-N

DeepSMILES:
OC=O)CC=O)/C=CC=O)O)))/C=CccOC6))cccc6))O

Functional groups:
CC(=O)O, cC=C(C)/C(=C/C(=O)O)C(C)=O, 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: 0.99

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Chemical structure download