Structure Database (LMSD)
Common Name
Haplopappin A
Systematic Name
Synonyms
3D model of Haplopappin A
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
String Representations
InChiKey (Click to copy)
FHPVJDIAUBFEDI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H22O7/c1-13(14-4-8-16(26)9-5-14)20-19(31-3)12-18(27)21-22(28)23(29)24(32-25(20)21)15-6-10-17(30-2)11-7-15/h4-13,26-27,29H,1-3H3
SMILES (Click to copy)
C1(OC)=C(C(C)C2C=CC(O)=CC=2)C2OC(C3C=CC(OC)=CC=3)=C(O)C(=O)C=2C(O)=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
32
Rings
4
Aromatic Rings
4
Rotatable Bonds
5
Van der Waals Molecular Volume
380.51
Topological Polar Surface Area
109.36
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
7
logP
5.65
Molar Refractivity
120.09
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