Summary

IMPPAT Phytochemical identifier: IMPHY008994

Phytochemical name: Anthrone, 1,8-dihydroxy-3-methoxy-6-methyl-

Synonymous chemical names:
physcion anthrone

External chemical identifiers:
CID:19132, ZINC:ZINC000006070486, FDASRS:72PNO71IWV, SureChEMBL:SCHEMBL16225766

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Chemical structure information

SMILES:
COc1cc2Cc3cc(C)cc(c3C(=O)c2c(c1)O)O

InChI:
InChI=1S/C16H14O4/c1-8-3-9-5-10-6-11(20-2)7-13(18)15(10)16(19)14(9)12(17)4-8/h3-4,6-7,17-18H,5H2,1-2H3

InChIKey:
DRQZSQDHMHEDQS-UHFFFAOYSA-N

DeepSMILES:
COcccCcccC)ccc6C=O)c%10cc%14)O)))))O

Functional groups:
cC(c)=O, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1c2ccccc2Cc2ccccc21

Scaffold Graph/Node level:
OC1C2CCCCC2CC2CCCCC21

Scaffold Graph level:
CC1C2CCCCC2CC2CCCCC21

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Anthracenes

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