Structure Database (LMSD)

OH OH
Common Name
Plaunotol
Systematic Name
(2Z,6E)-2-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-6-methylocta-2,6-diene-1,8-diol
Synonyms
  • (E,Z,E)-7-Hydroxymethyl-3,11,15-trimethyl-2,6,10,14-hexadecatetraen-1-ol
  • Kelnac
  • Plaunotolum
LM ID
LMPR0104010010
Formula
C20H34O2
Exact Mass
Calculate m/z
306.25588
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C20 isoprenoids (diterpenes) [PR0104]
Acyclic diterpenoids [PR010401]

String Representations

InChiKey (Click to copy)
SUWYPNNPLSRNPS-UNTSEYQFSA-N
InChi (Click to copy)
InChI=1S/C20H34O2/c1-17(2)8-5-9-18(3)10-6-12-20(16-22)13-7-11-19(4)14-15-21/h8,10,13-14,21-22H,5-7,9,11-12,15-16H2,1-4H3/b18-10+,19-14+,20-13-
SMILES (Click to copy)
C/C(=C/CC/C(/C)=C/CC/C(=C/CC/C(/C)=C/CO)/CO)/C

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Croton sublyratus (#107238)
Magnoliopsida (#3398)
Isolation and structure of antipeptic ulcer diterpene from Thai medicinal plant.,
Chem Pharm Bull (Tokyo), 1978
Pubmed ID: 729109

Other Databases

KEGG ID
C13273
CHEBI ID
32023
PubChem CID
5282197

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 361.58
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 5.67
Molar Refractivity 97.88

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Created at
-
Updated at
20th Nov 2023