Summary

IMPPAT Phytochemical identifier: IMPHY003447

Phytochemical name: 10-(4,5-dihydroxy-2-methyl-10-oxo-9H-anthracen-9-yl)-1,8-dihydroxy-3-methyl-10H-anthracen-9-one

Synonymous chemical names:
ararobinol

External chemical identifiers:
CID:438692, ChEMBL:CHEMBL1981253

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Chemical structure information

SMILES:
Cc1cc(O)c2c(c1)C(C1c3cccc(c3C(=O)c3c1cc(C)cc3O)O)c1c(C2=O)c(O)ccc1

InChI:
InChI=1S/C30H22O6/c1-13-9-17-23(15-5-3-7-19(31)25(15)29(35)27(17)21(33)11-13)24-16-6-4-8-20(32)26(16)30(36)28-18(24)10-14(2)12-22(28)34/h3-12,23-24,31-34H,1-2H3

InChIKey:
IXXWTERKUADIKZ-UHFFFAOYSA-N

DeepSMILES:
CcccO)ccc6)CCcccccc6C=O)cc%10ccC)cc6O)))))))))O)))))))ccC6=O))cO)ccc6

Functional groups:
cC(c)=O, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1c2ccccc2C(C2c3ccccc3C(=O)c3ccccc32)c2ccccc21

Scaffold Graph/Node level:
OC1C2CCCCC2C(C2C3CCCCC3C(O)C3CCCCC32)C2CCCCC12

Scaffold Graph level:
CC1C2CCCCC2C(C2C3CCCCC3C(C)C3CCCCC32)C2CCCCC12

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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: 0.69

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Chemical structure download