Structure Database (LMSD)
Systematic Name
(5R,8R,9S,10R)-18-nor-cleroda-2,13-dien-16,15-olide-4-one
Synonyms
3D model of
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
Level 4 Class
String Representations
InChiKey (Click to copy)
IKWPAZYIBBJEQO-OYYCAODRSA-N
InChi (Click to copy)
InChI=1S/C19H26O3/c1-13-7-9-19(3)15(5-4-6-16(19)20)18(13,2)10-8-14-11-17(21)22-12-14/h4,6,11,13,15H,5,7-10,12H2,1-3H3/t13-,15-,18+,19-/m1/s1
SMILES (Click to copy)
[C@]12([H])[C@@](C)(CC[C@@H](C)[C@]1(C)CCC1COC(=O)C=1)C(=O)C=CC2
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Salvia deserta
(#342061)
Magnoliopsida
(#3398)
Six undescribed clerodane diterpenoids and five known analogues were isolated from Salvia deserta. Moderate immunosuppressive activity was observed for several compounds Clerodane diterpenoids from the Uygur medicine Salvia deserta with immunosuppressive activity,
Phytochemistry, 2023
Phytochemistry, 2023
Pubmed ID:
37579813
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
3
Aromatic Rings
Rotatable Bonds
3
Van der Waals Molecular Volume
315.99
Topological Polar Surface Area
45.44
Hydrogen Bond Donors
Hydrogen Bond Acceptors
3
logP
4.12
Molar Refractivity
85.63
Admin
Created at
17th Aug 2023
Updated at
17th Aug 2023