Summary

IMPPAT Phytochemical identifier: IMPHY007992

Phytochemical name: Euparin

Synonymous chemical names:
euparin

External chemical identifiers:
CID:119039, ChEMBL:CHEMBL503938, ChEBI:67437, ZINC:ZINC000003197734, FDASRS:46YA021ENM, SureChEMBL:SCHEMBL1675976

---

Chemical structure information

SMILES:
CC(=C)c1cc2c(o1)cc(c(c2)C(=O)C)O

InChI:
InChI=1S/C13H12O3/c1-7(2)12-5-9-4-10(8(3)14)11(15)6-13(9)16-12/h4-6,15H,1H2,2-3H3

InChIKey:
OPUFDNZTKHPZHM-UHFFFAOYSA-N

DeepSMILES:
CC=C)cccco5)cccc6)C=O)C)))O

Functional groups:
cC(=C)C, cC(C)=O, cO, coc

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2occc2c1

Scaffold Graph/Node level:
C1CCC2OCCC2C1

Scaffold Graph level:
C1CCC2CCCC2C1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzofurans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids, Terpenoids

NP-Likeness score: 0.867

---

Chemical structure download