Summary

IMPPAT Phytochemical identifier: IMPHY007284

Phytochemical name: Carvotanacetone, 8-acetoxy

Synonymous chemical names:
1-carvotanacetone

External chemical identifiers:
CID:91749975

---

Chemical structure information

SMILES:
CC(=O)OCC([C@@H]1CC=C(C(=O)C1)C)C

InChI:
InChI=1S/C12H18O3/c1-8-4-5-11(6-12(8)14)9(2)7-15-10(3)13/h4,9,11H,5-7H2,1-3H3/t9?,11-/m1/s1

InChIKey:
PCFLUBMQGSCZOX-HCCKASOXSA-N

DeepSMILES:
CC=O)OCC[C@@H]CC=CC=O)C6))C)))))C

Functional groups:
CC=C(C)C(C)=O, COC(C)=O

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CCCC1

Scaffold Graph/Node level:
OC1CCCCC1

Scaffold Graph level:
CC1CCCCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Menthane monoterpenoids

NP-Likeness score: 2.019

---

Chemical structure download