Summary

IMPPAT Phytochemical identifier: IMPHY011371

Phytochemical name: cis-Chrysanthenyl acetate

Synonymous chemical names:
cis- chrsanthenyl acetate+, cis-chry-santhenyl acetate, cis-chrysanthenyl acetate, cis-chrysanthenyl acetate, cis-chrysanthenylacetate1262

External chemical identifiers:
CID:6431301

---

Chemical structure information

SMILES:
CC(=O)OC1[C@H]2CC=C([C@@H]1C2(C)C)C

InChI:
InChI=1S/C12H18O2/c1-7-5-6-9-11(14-8(2)13)10(7)12(9,3)4/h5,9-11H,6H2,1-4H3/t9-,10+,11?/m1/s1

InChIKey:
UASZOTVHPVEMQR-JKIOLJMWSA-N

DeepSMILES:
CC=O)OC[C@H]CC=C[C@@H]6C6C)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: 2.804

---

Chemical structure download