Structure Database (LMSD)

Common Name
Sciadopitysin
Systematic Name
Synonyms
LM ID
LMPK12040006
Status
Active
Exact Mass
Calculate m/z
580.13695
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)
YCXRBCHEOFVYEN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C33H24O10/c1-39-18-7-4-16(5-8-18)27-15-25(38)32-23(36)13-22(35)30(33(32)43-27)20-10-17(6-9-26(20)41-3)28-14-24(37)31-21(34)11-19(40-2)12-29(31)42-28/h4-15,34-36H,1-3H3
SMILES (Click to copy)
C1(OC)=CC2OC(C3C=CC(OC)=C(C4=C(O)C=C(O)C5C(=O)C=C(C6=CC=C(OC)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

KEGG ID
CHEBI ID
PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 43
Rings 6
Aromatic Rings 6
Rotatable Bonds 6
Van der Waals Molecular Volume 485.56
Topological Polar Surface Area 148.80
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 10
logP 7.84
Molar Refractivity 159.70

Admin

Created at
-
Updated at
8th Jun 2021