Summary

IMPPAT Phytochemical identifier: IMPHY009602

Phytochemical name: 5-(Pentadeca-8,11,14-trien-1-yl)resorcinol

Synonymous chemical names:
5-pentadecatrienyl resorcinol

External chemical identifiers:
CID:13259919, ChEMBL:CHEMBL459603, ChEBI:52680, ZINC:ZINC000031157858, SureChEMBL:SCHEMBL2467234, MolPort-001-740-965

---

Chemical structure information

SMILES:
C=CC/C=CC/C=CCCCCCCCc1cc(O)cc(c1)O

InChI:
InChI=1S/C21H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(23)17-19/h2,4-5,7-8,16-18,22-23H,1,3,6,9-15H2/b5-4-,8-7-

InChIKey:
OOXBEOHCOCMKAC-UTOQUPLUSA-N

DeepSMILES:
C=CC/C=CC/C=CCCCCCCCcccO)ccc6)O

Functional groups:
C/C=CC, C=CC, 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: Benzenediols

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Aromatic polyketides

NP Classifier Class: Catechols with side chains

NP-Likeness score: 1.535

---

Chemical structure download