Structure Database (LMSD)

Common Name
Himalaflavone C
Systematic Name
(2R,3R)-3,5,2'-trihydroxy-7-methoxy-6-methylflavanone
Synonyms
LM ID
LMPK12140702
Formula
C17H16O6
Exact Mass
Calculate m/z
316.09469
Status
Active
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
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)
LBGKWTTXFFIFCP-DLBZAZTESA-N
InChi (Click to copy)
InChI=1S/C17H16O6/c1-8-11(22-2)7-12-13(14(8)19)15(20)16(21)17(23-12)9-5-3-4-6-10(9)18/h3-7,16-19,21H,1-2H3/t16-,17+/m0/s1
SMILES (Click to copy)
C1(OC)C=C2O[C@H](C3C(O)=CC=CC=3)[C@@H](O)C(=O)C2=C(O)C=1C

Other Databases

PubChem CID
171120346

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 3
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 278.04
Topological Polar Surface Area 98.29
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 2.38
Molar Refractivity 81.72

Admin

Created at
2nd Jun 2020
Updated at
2nd Jun 2020