Structure Database (LMSD)
Common Name
Dorsmanin H
Systematic Name
5,7,3',4'-Tetrahydroxy-6-prenyl-8-(2-hydroxy-3-methylbut-3-enyl)flavanone
Synonyms
3D model of Dorsmanin H
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
String Representations
InChiKey (Click to copy)
AZJHCBAWHISFNV-ZYZRXSCRSA-N
InChi (Click to copy)
InChI=1S/C25H28O7/c1-12(2)5-7-15-23(30)16(10-18(27)13(3)4)25-22(24(15)31)20(29)11-21(32-25)14-6-8-17(26)19(28)9-14/h5-6,8-9,18,21,26-28,30-31H,3,7,10-11H2,1-2,4H3/t18?,21-/m0/s1
SMILES (Click to copy)
C1(O)C(CC(C(C)=C)O)=C2O[C@H](C3C=CC(O)=C(O)C=3)CC(=O)C2=C(O)C=1C/C=C(/C)\C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
32
Rings
3
Aromatic Rings
2
Rotatable Bonds
6
Van der Waals Molecular Volume
419.95
Topological Polar Surface Area
129.52
Hydrogen Bond Donors
5
Hydrogen Bond Acceptors
7
logP
4.49
Molar Refractivity
120.03
Admin
Created at
-
Updated at
21st Nov 2023