Summary

IMPPAT Phytochemical identifier: IMPHY004835

Phytochemical name: 2-Hydroxychrysophanol

Synonymous chemical names:
2-hydroxychrysophanol

External chemical identifiers:
CID:442759, ChEMBL:CHEMBL190245, ChEBI:7635, ZINC:ZINC000004098690, SureChEMBL:SCHEMBL3192604

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Chemical structure information

SMILES:
Oc1cccc2c1C(=O)c1c(C2=O)cc(c(c1O)O)C

InChI:
InChI=1S/C15H10O5/c1-6-5-8-11(15(20)12(6)17)14(19)10-7(13(8)18)3-2-4-9(10)16/h2-5,16-17,20H,1H3

InChIKey:
CQNVSNFEXPKHGW-UHFFFAOYSA-N

DeepSMILES:
Occcccc6C=O)ccC6=O))cccc6O))O))C

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: 1.404

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Chemical structure download