Structure database (LMSD)

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LM IDLMPR0103330006
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
Exact Mass
218.1671 (neutral)    Calculate m/z:
FormulaC15H22O
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC15 isoprenoids (sesquiterpenes) [PR0103]
Class Level 4Cadinane sesquiterpenoids [PR010333]
PubChem CID442519
KEGG IDC09938
CHEBI ID8
InChIKeyFDMKIGKOMRSCAW-NWDGAFQWSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
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
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SMILES
C1=C(C)C=C2[C@@H](C(C)C)CC[C@H](C)C2=C1O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms16Rings2Aromatic Rings1Rotatable Bonds1
 van der Waals
Molecular Volume
233.31Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP4.34Molar
Refractivity
68.07