Structure Database (LMSD)
Common Name
Robustaflavone
Systematic Name
Synonyms
- 3',6''-biapigenin
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
BORWSEZUWHQTOK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)23-11-22(37)29-26(39-23)12-20(35)27(30(29)38)17-7-14(3-6-18(17)33)24-10-21(36)28-19(34)8-16(32)9-25(28)40-24/h1-12,31-35,38H
SMILES (Click to copy)
C1(O)=CC2OC(C3C=CC(O)=C(C4=C(O)C=C5OC(C6=CC=C(O)C=C6)=CC(=O)C5=C4O)C=3)=CC(=O)C=2C(O)=C1
References
Calculated Physicochemical Properties
Heavy Atoms
40
Rings
6
Aromatic Rings
6
Rotatable Bonds
3
Van der Waals Molecular Volume
433.66
Topological Polar Surface Area
181.80
Hydrogen Bond Donors
6
Hydrogen Bond Acceptors
10
logP
6.93
Molar Refractivity
145.04
Admin
Created at
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Updated at
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