Structure Database (LMSD)

Common Name
(+)-8-hydroxycalamenene
Systematic Name
(5R,8S)-3,8-dimethyl-5-(propan-2-yl)-5,6,7,8-tetrahydronaphthalen-1-ol 7βH-cadina-1,3,5-trien-2-ol
Synonyms
  • (+)-8-Hydroxycalamenene
LM ID
LMPR0103330006
Formula
C15H22O
Exact Mass
Calculate m/z
218.167065
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C15 isoprenoids (sesquiterpenes) [PR0103]
Cadinane sesquiterpenoids [PR010333]

String Representations

InChiKey (Click to copy)
FDMKIGKOMRSCAW-NWDGAFQWSA-N
InChi (Click to copy)
InChI=1S/C15H22O/c1-9(2)12-6-5-11(4)15-13(12)7-10(3)8-14(15)16/h7-9,11-12,16H,5-6H2,1-4H3/t11-,12+/m0/s1
SMILES (Click to copy)
C1=C(C)C=C2[C@@H](C(C)C)CC[C@H](C)C2=C1O

Other Databases

KEGG ID
C09938
CHEBI ID
8
PubChem CID
442519

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 2
Aromatic Rings 1
Rotatable Bonds 1
Van der Waals Molecular Volume 233.31
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 4.34
Molar Refractivity 68.07

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Updated at
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