Structure database (LMSD)

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LM IDLMPR0106160004
Common NameGlutinol
Systematic Name-
Synonymsepi-Alnusenol; glutin-5-en-3β-ol
Exact Mass
426.3862 (neutral)    Calculate m/z:
FormulaC30H50O
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC30 isoprenoids (triterpenes) [PR0106]
Class Level 4Taraxerane, multiflorane, glutinane and friedelane triterpenoids [PR010616]
PubChem CID9932254
CHEBI ID63462
InChIKeyHFSACQSILLSUII-YEPLBTPASA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C30H50O/c1-25(2)13-14-27(5)15-17-29(7)22-11-9-20-21(10-12-24(31)26(20,3)4)28(22,6)16-18-30(29,8)23(27)19-25/h9,21-24,31H,10-19H2,1-8H3/t21?,22?,23?,24-,27+,28-,29+,30-/m0/s1
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SMILES
CC1(C)CC2[C@@](C)(CC[C@@]3(C)[C@@]2(C)CC[C@]2(C)C3CC=C3C(C)(C)[C@@H](O)CCC32)CC1
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StatusActive
ReferencesGarcinoic Acids and a Benzophenone Derivative From the Seeds of Garcinia kola and Their Antibacterial Activities Against Oral Bacterial Pathogenic Organisms
J. Nat. Prod 2020
DOI: 10.1021/acs.jnatprod.9b01045
PMID: 32644811
Calculated physicochemical properties (?):
 Heavy Atoms31Rings5Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
471.91Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP8.46Molar
Refractivity
131.23