Structure Database (LMSD)

Common Name
Uvarinol
Systematic Name
Synonyms
LM ID
LMPK12140149
Formula
C36H30O7
Exact Mass
Calculate m/z
574.199156
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavanones [PK1214]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

String Representations

InChiKey (Click to copy)
DNSBHCGTUDJZGO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C36H30O7/c37-28-12-6-4-10-23(28)16-21-14-15-30(39)25(17-21)19-26-34(41)27(18-24-11-5-7-13-29(24)38)36-33(35(26)42)31(40)20-32(43-36)22-8-2-1-3-9-22/h1-15,17,32,37-39,41-42H,16,18-20H2
SMILES (Click to copy)
C1C=CC(CC2C=C(CC3C(O)=C(CC4C=CC=CC=4O)C4OC(C5C=CC=CC=5)CC(=O)C=4C=3O)C(O)=CC=2)=C(O)C=1

Other Databases

METABOLOMICS ID
FL2FA9NC0004
PubChem CID
21721823

Calculated Physicochemical Properties

Heavy Atoms 43
Rings 6
Aromatic Rings 5
Rotatable Bonds 7
Van der Waals Molecular Volume 521.99
Topological Polar Surface Area 129.52
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 7
logP 6.69
Molar Refractivity 161.27

Admin

Created at
-
Updated at
-