Summary

IMPPAT Phytochemical identifier: IMPHY014243

Phytochemical name: Rhababerone

Synonymous chemical names:
isoemodin

External chemical identifiers:
CID:12310964, ChEBI:174543, ZINC:ZINC000014814387

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Chemical structure information

SMILES:
Cc1cc2c(cc1O)C(=O)c1c(C2=O)c(O)ccc1O

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

InChIKey:
RLTYFLICIIZAKQ-UHFFFAOYSA-N

DeepSMILES:
Ccccccc6O)))C=O)ccC6=O))cO)ccc6O

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: 0.96

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Chemical structure download