Summary

IMPPAT Phytochemical identifier: IMPHY017118

Phytochemical name: ((4aS,8S,8aR)-8-Isopropyl-5-methyl-3,4,4a,7,8,8a-hexahydronaphthalen-2-yl)methanol

Synonymous chemical names:
4,9-muuroladien-15-ol

External chemical identifiers:
CID:14845386

---

Chemical structure information

SMILES:
OCC1=CC2C(CC1)C(=CCC2C(C)C)C

InChI:
InChI=1S/C15H24O/c1-10(2)13-6-4-11(3)14-7-5-12(9-16)8-15(13)14/h4,8,10,13-16H,5-7,9H2,1-3H3

InChIKey:
DFIKBBWSGFHYMP-UHFFFAOYSA-N

DeepSMILES:
OCC=CCCCC6))C=CCC6CC)C)))))C

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CCC=CC2CC1

Scaffold Graph/Node level:
C1CCC2CCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Cadinane sesquiterpenoids

NP-Likeness score: 3.027

---

Chemical structure download