Summary

IMPPAT Phytochemical identifier: IMPHY002868

Phytochemical name: 1,3,8-Trihydroxy-2-methylanthracene-9,10-dione

Synonymous chemical names:
1,3,8-trihydroxy-2-methylanthraquinone

External chemical identifiers:
CID:14375937

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Chemical structure information

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

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

InChIKey:
DKBPRYNCMDJTRD-UHFFFAOYSA-N

DeepSMILES:
Occcccc6C=O)ccC6=O))cccc6O))C))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: 1.624

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Chemical structure download