Summary

IMPPAT Phytochemical identifier: IMPHY007261

Phytochemical name: Protoanemonin

Synonymous chemical names:
protoanemonin

External chemical identifiers:
CID:66948, ChEBI:28906, ZINC:ZINC000000538242, FDASRS:66FQZ1A5SO, SureChEMBL:SCHEMBL164546

---

Chemical structure information

SMILES:
C=C1C=CC(=O)O1

InChI:
InChI=1S/C5H4O2/c1-4-2-3-5(6)7-4/h2-3H,1H2

InChIKey:
RNYZJZKPGHQTJR-UHFFFAOYSA-N

DeepSMILES:
C=CC=CC=O)O5

Functional groups:
C=C1C=CC(=O)O1

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C=CC(=O)O1

Scaffold Graph/Node level:
CC1CCC(O)O1

Scaffold Graph level:
CC1CCC(C)C1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Dihydrofurans

ClassyFire Subclass: Furanones

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: 3.055

---

Chemical structure download