Summary

IMPPAT Phytochemical identifier: IMPHY012329

Phytochemical name: 8-Hydroxycoumarin

Synonymous chemical names:
8-oh-coumarin

External chemical identifiers:
CID:122783, ChEMBL:CHEMBL389988, FDASRS:854P936B10, SureChEMBL:SCHEMBL1366927, MolPort-022-369-500

---

Chemical structure information

SMILES:
O=c1ccc2c(o1)c(O)ccc2

InChI:
InChI=1S/C9H6O3/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5,10H

InChIKey:
DPTUTXWBBUARQB-UHFFFAOYSA-N

DeepSMILES:
O=ccccco6)cO)ccc6

Functional groups:
c=O, cO, coc

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1ccc2ccccc2o1

Scaffold Graph/Node level:
OC1CCC2CCCCC2O1

Scaffold Graph level:
CC1CCC2CCCCC2C1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Coumarins and derivatives

ClassyFire Subclass: Hydroxycoumarins

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Coumarins

NP Classifier Class: Simple coumarins

NP-Likeness score: 1.108

---

Chemical structure download