Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID012695

Phytochemical name: Soranjidiol

Synonymous chemical names:
Soranjidiol, soranjidiol

External chemical identifiers:
CID:CID_124063, ChEBI:CHEBI:69532, SureChEMBL:SCHEMBL10909335

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Chemical structure information

SMILES:
Oc1ccc2c(c1)C(=O)c1c(C2=O)c(O)c(cc1)C

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

InChIKey:
BSKQISPKMLYNTK-UHFFFAOYSA-N

DeepSMILES:
Occcccc6)C=O)ccC6=O))cO)ccc6))C

Functional groups:
cO, cC(=O)c

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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: 1.165

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Chemical structure download