Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018028

Phytochemical name: cis-Pinocamphone

Synonymous chemical names:
cis-Pinocamphone

Chemical structure information

SMILES:
O=C1C[C@@H]2C[C@H]([C@H]1C)C2(C)C

InChI:
InChI=1S/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-8H,4-5H2,1-3H3/t6-,7+,8-/m1/s1

InChIKey:
MQPHVIPKLRXGDJ-GJMOJQLCSA-N

DeepSMILES:
O=CC[C@@H]C[C@H][C@H]6C))C4C)C

Functional groups:
CC(=O)C

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2CC(C1)C2

Scaffold Graph/Node level:
OC1CC2CC(C1)C2

Scaffold Graph level:
CC1CC2CC(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: 2.524

---

Chemical structure download