Structure Database (LMSD)

Common Name
Tephroapollin G
Systematic Name
Synonyms
LM ID
LMPK12113400
Formula
C25H24O7
Exact Mass
Calculate m/z
436.152205
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Tephrosia purpurea (#228354)
Magnoliopsida (#3398)
New prenylated flavonoid and neuroprotective compounds from Tephrosia purpurea subsp. dunensis.,
Nat Prod Res, 2020
Pubmed ID: 32878453

String Representations

InChiKey (Click to copy)
ZSZZBDOVOVYPPS-UUOWRZLLSA-N
InChi (Click to copy)
InChI=1S/C25H24O7/c1-14(26)30-24(25(3,4)32-15(2)27)18-13-29-20-11-10-17-19(28)12-21(31-23(17)22(18)20)16-8-6-5-7-9-16/h5-12,18,24H,13H2,1-4H3/t18-,24-/m0/s1
SMILES (Click to copy)
C12[C@@H]([C@@H](C(C)(OC(=O)C)C)OC(C)=O)COC1=CC=C1C(=O)C=C(C3C=CC=CC=3)OC=21

Other Databases

PubChem CID
162985791

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 4
Aromatic Rings 2
Rotatable Bonds 7
Van der Waals Molecular Volume 404.95
Topological Polar Surface Area 92.27
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 7
logP 4.91
Molar Refractivity 116.97

Admin

Created at
10th Sep 2020
Updated at
10th Sep 2020