Summary

IMPPAT Phytochemical identifier: IMPHY016272

Phytochemical name: Tricyclo[5.2.2.0(1,6)]undecan-3-ol, 2-methylene-6,8,8-trimethyl-

Synonymous chemical names:
2-methylene-6,8,8-trimethyl-tricyclo[5.2.2.0(1,6)]undecan-3-ol, tricyclo[5.2.2.0(1,6)]undecan-3-ol, 2-methylene-6,8,8-trimethyl-

External chemical identifiers:
CID:535346

---

Chemical structure information

SMILES:
OC1CCC2(C3(C1=C)CCC2C(C3)(C)C)C

InChI:
InChI=1S/C15H24O/c1-10-11(16)5-7-14(4)12-6-8-15(10,14)9-13(12,2)3/h11-12,16H,1,5-9H2,2-4H3

InChIKey:
WAAGDSRYOTWUKB-UHFFFAOYSA-N

DeepSMILES:
OCCCCCC6=C))CCC5CC6)C)C))))))C

Functional groups:
C=C(C)C, CO

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCC2C3CCC12CC3

Scaffold Graph/Node level:
CC1CCCC2C3CCC12CC3

Scaffold Graph level:
CC1CCCC2C3CCC12CC3

---

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: Sesquiterpenoids

NP Classifier Class: Clovane sesquiterpenoids

NP-Likeness score: 3.152

---

Chemical structure download