Structure database (LMSD)

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LM IDLMPR0103700007
Common Namealbaflavenol
Systematic Name(3S,3aR,6S)-3,7,7,8-tetramethyl-2,3,4,5,6,7-hexahydro-1H-3a,6-methanoazulen-1-
ol
Synonyms(+)-epi-isozizaen-5-ol;(1R,2S,8S)-2,6,7,7-tetramethyltricyclo[6.2.1.0(1,5)
]undec-5-en-4-ol
Exact Mass
220.1827 (neutral)    Calculate m/z:
FormulaC15H24O
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC15 isoprenoids (sesquiterpenes) [PR0103]
Class Level 4Zizaane and prezizaane sesquiterpenoids [PR010370]
PubChem CID25137937
CHEBI ID51478
InChIKeyZRRTYQUKAJCICD-MIMBDUIHSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C15H24O/c1-9-7-12(16)13-10(2)14(3,4)11-5-6-15(9,13)8-11/h9,11-12,16H,5-8H2,1-4H3/t9-,11?,12?,15+/m0/s1
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SMILES
C1[C@@H]2CC[C@]31C(C(O)C[C@@H]3C)=C(C)C2(C)C
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms16Rings3Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
237.13Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP3.82Molar
Refractivity
66.55