Summary

IMPPAT Phytochemical identifier: IMPHY005991

Phytochemical name: 3,5-Dihydroxybenzoic acid

Synonymous chemical names:
3,5-dihydroxybenzoic acid, alpha resorcylic acid, alpha-resorcylic acid, alpha-resorcylic-acid, α-resorcyclic acid, α-resorcylic, α-resorcylic acid

External chemical identifiers:
CID:7424, ChEMBL:CHEMBL95308, ChEBI:39912, ZINC:ZINC000000388546, FDASRS:2WC5LMO6L1, SureChEMBL:SCHEMBL28106, MolPort-001-759-970

---

Chemical structure information

SMILES:
Oc1cc(O)cc(c1)C(=O)O

InChI:
InChI=1S/C7H6O4/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,8-9H,(H,10,11)

InChIKey:
UYEMGAFJOZZIFP-UHFFFAOYSA-N

DeepSMILES:
OcccO)ccc6)C=O)O

Functional groups:
cC(=O)O, cO

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Benzoic acids and derivatives

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenolic acids (C6-C1)

NP Classifier Class: Simple phenolic acids

NP-Likeness score: 0.798

---

Chemical structure download