Summary

IMPPAT Phytochemical identifier: IMPHY015450

Phytochemical name: 8-Hydroxy-2,2-dimethyl-8-phenyl-oct-5-en-3-one

Synonymous chemical names:
8-hydroxy-2,2-dimethyl-8-phenyl-oct-5-en-3-one

External chemical identifiers:
CID:5365087

---

Chemical structure information

SMILES:
OC(c1ccccc1)C/C=C/CC(=O)C(C)(C)C

InChI:
InChI=1S/C16H22O2/c1-16(2,3)15(18)12-8-7-11-14(17)13-9-5-4-6-10-13/h4-10,14,17H,11-12H2,1-3H3/b8-7+

InChIKey:
UJSDNXJAIYDNQB-BQYQJAHWSA-N

DeepSMILES:
OCcccccc6))))))C/C=C/CC=O)CC)C)C

Functional groups:
C/C=C/C, CC(C)=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: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty alcohols

NP-Likeness score: 0.428

---

Chemical structure download