Structure Database (LMSD)

Common Name
Bilobetin
Systematic Name
Synonyms
LM ID
LMPK12040013
Status
Active
Exact Mass
Calculate m/z
552.10565
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
IWEIJEPIYMAGTH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C31H20O10/c1-39-24-7-4-15(26-12-22(37)29-19(34)9-17(33)10-27(29)40-26)8-18(24)28-20(35)11-21(36)30-23(38)13-25(41-31(28)30)14-2-5-16(32)6-3-14/h2-13,32-36H,1H3
SMILES (Click to copy)
C1(O)=CC2OC(C3C=CC(OC)=C(C4=C(O)C=C(O)C5C(=O)C=C(C6=CC=C(O)C=C6)OC4=5)C=3)=CC(=O)C=2C(O)=C1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Ginkgo biloba (#3311)
Ginkgoopsida (#29811)
Flavonoids of Ginkgo biloba,
Ginkgo Biloba A Global Treasure, 1997

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 41
Rings 6
Aromatic Rings 6
Rotatable Bonds 4
Van der Waals Molecular Volume 450.96
Topological Polar Surface Area 170.80
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 10
logP 7.24
Molar Refractivity 149.93

Admin

Created at
8th Jun 2021
Updated at
8th Jun 2021