Structure Database (LMSD)
Common Name
Mulberrin
Systematic Name
Synonyms
- Norartocarpin
3D model of Mulberrin
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)
UWQYBLOHTQWSQD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H26O6/c1-13(2)5-8-17-20(28)12-21(29)22-23(30)18(9-6-14(3)4)24(31-25(17)22)16-10-7-15(26)11-19(16)27/h5-7,10-12,26-29H,8-9H2,1-4H3
SMILES (Click to copy)
C1(O)=C(C/C=C(\C)/C)C2OC(C3C(O)=CC(O)=CC=3)=C(C/C=C(\C)/C)C(=O)C=2C(O)=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
31
Rings
3
Aromatic Rings
3
Rotatable Bonds
5
Van der Waals Molecular Volume
397.62
Topological Polar Surface Area
111.13
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
6
logP
6.20
Molar Refractivity
120.96
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