Structure Database (LMSD)

Common Name
10-demethyl boeravinone C
Systematic Name
Synonyms
LM ID
LMPK12060083
Formula
C17H14O7
Exact Mass
Calculate m/z
330.073955
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Rotenoid flavonoids [PK1206]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Mirabilis himalaica (#482968)
Magnoliopsida (#3398)
Himalaflavone A-E, five new flavonoids from Oxybaphus himalaicus.,
Nat Prod Res, 2020
Pubmed ID: 32476473

String Representations

InChiKey (Click to copy)
ZXZFBFOIMQWFPM-LRHAYUFXSA-N
InChi (Click to copy)
InChI=1S/C17H14O7/c1-22-8-5-11(19)14-12(6-8)24-13-7-23-15-9(3-2-4-10(15)18)17(13,21)16(14)20/h2-6,13,18-19,21H,7H2,1H3/t13?,17-/m1/s1
SMILES (Click to copy)
C1(OC)C=C2OC3COC4=C(O)C=CC=C4[C@]3(O)C(=O)C2=C(O)C=1

Other Databases

PubChem CID
171118754

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 4
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 274.47
Topological Polar Surface Area 109.59
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 1.90
Molar Refractivity 81.91

Admin

Created at
2nd Jun 2020
Updated at
10th Feb 2021