Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID017166

Phytochemical name: 9H-Xanthen-9-ol

Synonymous chemical names:
9-hydroxyxanthene, xanthanol, Xanthanol

External chemical identifiers:
CID:CID_72861, ZINC:ZINC000000058266, FDASRS:7131M69IKF, SureChEMBL:SCHEMBL521775, MolPort-001-759-200

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Chemical structure information

SMILES:
OC1c2ccccc2Oc2c1cccc2

InChI:
InChI=1S/C13H10O2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8,13-14H

InChIKey:
JFRMYMMIJXLMBB-UHFFFAOYSA-N

DeepSMILES:
OCcccccc6Occ%10cccc6

Functional groups:
CO, cOc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)Cc1ccccc1O2

Scaffold Graph/Node level:
C1CCC2OC3CCCCC3CC2C1

Scaffold Graph level:
C1CCC2CC3CCCCC3CC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzopyrans

ClassyFire Subclass: 1-benzopyrans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Chalcones

NP-Likeness score: 0.328

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Chemical structure download