Summary

IMPPAT Phytochemical identifier: IMPHY008824

Phytochemical name: 6-Methylalizarin

Synonymous chemical names:
6-methylalizarin

Chemical structure information

SMILES:
Cc1ccc2c(c1)C(=O)c1c(C2=O)c(O)c(cc1)O

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

InChIKey:
QBYMXIKOVUNSHE-UHFFFAOYSA-N

DeepSMILES:
Ccccccc6)C=O)ccC6=O))cO)ccc6))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: 0.894

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Chemical structure download