Summary

IMPPAT Phytochemical identifier: IMPHY009347

Phytochemical name: 7-Hydroxyemodin

Synonymous chemical names:
2-hydroxyemodin, alaternin

External chemical identifiers:
CID:12548, FDASRS:S6J25O71RB

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Chemical structure information

SMILES:
Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)c(c(c1)O)O

InChI:
InChI=1S/C15H10O6/c1-5-2-6-10(8(16)3-5)14(20)11-7(12(6)18)4-9(17)13(19)15(11)21/h2-4,16-17,19,21H,1H3

InChIKey:
OWKHJRBCPBBUGG-UHFFFAOYSA-N

DeepSMILES:
CcccO)ccc6)C=O)ccC6=O))cO)ccc6)O))O

Functional groups:
cC(c)=O, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1c2ccccc2C(=O)c2ccccc21

Scaffold Graph/Node level:
OC1C2CCCCC2C(O)C2CCCCC12

Scaffold Graph level:
CC1C2CCCCC2C(C)C2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Anthracenes

ClassyFire Subclass: Anthraquinones

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Polycyclic aromatic polyketides

NP Classifier Class: Anthraquinones and anthrones

NP-Likeness score: 1.492

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Chemical structure download