Summary

IMPPAT Phytochemical identifier: IMPHY003386

Phytochemical name: 1,5-Dihydroxy-2-methylanthracene-9,10-dione

Synonymous chemical names:
1,5- dihydroxy-2-methylanthraquinone, 1,5-dihydroxy-2-methyl anthraquinone, 1,5-dihydroxy-2-methylanthraquinone

External chemical identifiers:
CID:182449

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Chemical structure information

SMILES:
Oc1c(C)ccc2c1C(=O)c1c(C2=O)c(O)ccc1

InChI:
InChI=1S/C15H10O4/c1-7-5-6-9-12(13(7)17)15(19)8-3-2-4-10(16)11(8)14(9)18/h2-6,16-17H,1H3

InChIKey:
AJCZWDJTCCZJJT-UHFFFAOYSA-N

DeepSMILES:
OccC)cccc6C=O)ccC6=O))cO)ccc6

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: 1.014

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Chemical structure download