Structure Database (LMSD)

Common Name
Glutinol
Systematic Name
Synonyms
  • epi-Alnusenol
  • glutin-5-en-3beta-ol
LM ID
LMPR0106160004
Status
Active
Exact Mass
Calculate m/z
426.386165
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
HFSACQSILLSUII-YEPLBTPASA-N
InChi (Click to copy)
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
SMILES (Click to copy)
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

References

Reference
Garcinoic 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

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Garcinia kola (#469930)
Magnoliopsida (#3398)
Garcinoic Acids and a Benzophenone Derivative from the Seeds of Garcinia kola and Their Antibacterial Activities against Oral Bacterial Pathogenic Organisms.,
J Nat Prod, 2020
Pubmed ID: 32644811

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 5
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 471.91
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 8.46
Molar Refractivity 131.23

Admin

Created at
10th Jul 2020
Updated at
10th Jul 2020