Structure Database (LMSD)

HO OH O
Common Name
Kagimminol A
Systematic Name
Synonyms
LM ID
LMPR0104190003
Formula
C20H32O3
Exact Mass
Calculate m/z
320.235145
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]
Cembrane diterpenoids [PR010419]

String Representations

InChiKey (Click to copy)
UWCDFXBLLXOWRX-GUFHTRJOSA-N
InChi (Click to copy)
InChI=1S/C20H32O3/c1-14(2)17-11-9-15(3)7-6-8-16(4)10-12-19(22)20(5,23)13-18(17)21/h8-9,11,14,18,21,23H,6-7,10,12-13H2,1-5H3/b15-9+,16-8+,17-11-/t18-,20-/m0/s1
SMILES (Click to copy)
C1CC=C(C)CCC(=O)[C@@](C)(O)C[C@H](O)C(C(C)C)=CC=C1C

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
unclassified Okeania (#2634635)
Kagimminols A and B, Cembrene-Type Diterpenes from an Okeania sp. Marine Cyanobacterium.,
J Nat Prod, 2024
Pubmed ID: 38381613

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 1
Aromatic Rings
Rotatable Bonds 1
Van der Waals Molecular Volume 358.01
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 4.68
Molar Refractivity 96.18

Admin

Created at
15th Mar 2024
Updated at
15th Mar 2024