Summary

IMPPAT Phytochemical identifier: IMPHY011087

Phytochemical name: alpha-Turmerone

Synonymous chemical names:
alpha-turmerone, α-turmerone

External chemical identifiers:
CID:14632996, SureChEMBL:SCHEMBL3092052

---

Chemical structure information

SMILES:
CC(=CC(=O)CC(C1CC=C(C=C1)C)C)C

InChI:
InChI=1S/C15H22O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5-7,9,13-14H,8,10H2,1-4H3

InChIKey:
XOCANRBEOZQNAQ-UHFFFAOYSA-N

DeepSMILES:
CC=CC=O)CCCCC=CC=C6))C)))))C)))))C

Functional groups:
CC(=O)C=C(C)C, CC1=CCCC=C1

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCCC=C1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Bisabolane sesquiterpenoids

NP-Likeness score: 2.922

---

Chemical structure download