Summary

IMPPAT Phytochemical identifier: IMPHY014203

Phytochemical name: 1-(4-Hydroxyphenyl)propane-1,2,3-triol

Synonymous chemical names:
1-(4-hydroxyphenyl)-1,2,3-propanetriol

External chemical identifiers:
CID:11095273, ChEMBL:CHEMBL1836129, ChEBI:173248, SureChEMBL:SCHEMBL7740121

---

Chemical structure information

SMILES:
OCC(C(c1ccc(cc1)O)O)O

InChI:
InChI=1S/C9H12O4/c10-5-8(12)9(13)6-1-3-7(11)4-2-6/h1-4,8-13H,5H2

InChIKey:
DGMSJCVOBYTYTE-UHFFFAOYSA-N

DeepSMILES:
OCCCcccccc6))O)))))O))O

Functional groups:
CO, 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: Phenols

ClassyFire Subclass: 1-hydroxy-2-unsubstituted benzenoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: 1.332

---

Chemical structure download