Summary

IMPPAT Phytochemical identifier: IMPHY015557

Phytochemical name: Chrysanthenyl isovalerate

Synonymous chemical names:
chrysanthenyl isovalerate

External chemical identifiers:
CID:529750

---

Chemical structure information

SMILES:
CC(CC(=O)OC1C2CC=C(C1C2(C)C)C)C

InChI:
InChI=1S/C15H24O2/c1-9(2)8-12(16)17-14-11-7-6-10(3)13(14)15(11,4)5/h6,9,11,13-14H,7-8H2,1-5H3

InChIKey:
VCFDIPBWQNPUTA-UHFFFAOYSA-N

DeepSMILES:
CCCC=O)OCCCC=CC6C6C)C)))C)))))))))C

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CC(C1)C2

Scaffold Graph/Node level:
C1CC2CC(C1)C2

Scaffold Graph level:
C1CC2CC(C1)C2

---

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: Pinane monoterpenoids

NP-Likeness score: 2.302

---

Chemical structure download