Structure Database (LMSD)

Common Name
Sciadopitysin
Systematic Name
Synonyms
LM ID
LMPK12040006
Formula
C33H24O10
Exact Mass
Calculate m/z
580.13695
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Biflavonoids and polyflavonoids [PK1204]

References

Taxonomy Information

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

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

Other Databases

KEGG ID
C10182
CHEBI ID
9050
PubChem CID
5281696
Cayman ID
27900

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