Structure Database (LMSD)

Common Name
(5S)-albaflavenol
Systematic Name
(1S,3S,3aR,6S)-3,7,7,8-tetramethyl-2,3,4,5,6,7-hexahydro-1H-3a,6-methanoazulen-1-ol
Synonyms
  • (+)-(5S)-epi-isozizaen-5-ol
  • (1R,2S,4S,8S)-2,6,7,7-tetramethyltricyclo[6.2.1.0(1,5)]undec-5-en-4-ol
  • (5S)-albaflavenol
LM ID
LMPR0103700009
Status
Active
Exact Mass
Calculate m/z
220.182715
Formula
C15H24O
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
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Main

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C15 isoprenoids (sesquiterpenes) [PR0103]
Zizaane and prezizaane sesquiterpenoids [PR010370]

String Representations

InChiKey (Click to copy)
ZRRTYQUKAJCICD-NDKJAYESSA-N
InChi (Click to copy)
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
SMILES (Click to copy)
C1[C@@H]2CC[C@]31C([C@@H](O)C[C@@H]3C)=C(C)C2(C)C

References

Other Databases

CHEBI ID
51480
PubChem CID
25137910

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 3
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 237.13
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 3.82
Molar Refractivity 66.55

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Created at
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Updated at
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