Summary

IMPPAT Phytochemical identifier: IMPHY016826

Phytochemical name: 4a-Methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalene-1,5-diol

Synonymous chemical names:
platambin

External chemical identifiers:
CID:613194, SureChEMBL:SCHEMBL17873941

---

Chemical structure information

SMILES:
C=C1CCC(C2(C1C(O)C(CC2)C(C)C)C)O

InChI:
InChI=1S/C15H26O2/c1-9(2)11-7-8-15(4)12(16)6-5-10(3)13(15)14(11)17/h9,11-14,16-17H,3,5-8H2,1-2,4H3

InChIKey:
WKKJGHCXVKEJNU-UHFFFAOYSA-N

DeepSMILES:
C=CCCCCC6CO)CCC6))CC)C)))))C))O

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCC2CCCCC12

Scaffold Graph/Node level:
CC1CCCC2CCCCC12

Scaffold Graph level:
CC1CCCC2CCCCC12

---

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: Eudesmane sesquiterpenoids

NP-Likeness score: 3.187

---

Chemical structure download