Structure Database (LMSD)
Common Name
S-Chinensen G
Systematic Name
2''-(5-hydroxy-3'S-methyl-3'-geranylgeranyl-2H-chromen-1-yl)acetic acid
Synonyms
3D model of S-Chinensen G
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
References
String Representations
InChiKey (Click to copy)
TWIPKYYPDRSCKC-XITLJRMFSA-N
InChi (Click to copy)
InChI=1S/C28H38O4/c1-20(2)9-6-10-21(3)11-7-12-22(4)13-8-15-28(5)16-14-23-17-25(29)18-24(19-26(30)31)27(23)32-28/h9,11,13-14,16-18,29H,6-8,10,12,15,19H2,1-5H3,(H,30,31)/b21-11+,22-13+/t28-/m0/s1
SMILES (Click to copy)
C1(CC(=O)O)=CC(O)=CC2C=C[C@](C)(CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C)OC1=2
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
32
Rings
2
Aromatic Rings
1
Rotatable Bonds
11
Van der Waals Molecular Volume
471.38
Topological Polar Surface Area
68.83
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
7.67
Molar Refractivity
132.67
Admin
Created at
21st Dec 2022
Updated at
16th Aug 2024