Structure Database (LMSD)

OH O O O O
Common Name
Himalaflavone B
Systematic Name
(2S,3S)-3-hydroxy-6,8-dimethoxy-7-methylflavanone
Synonyms
LM ID
LMPK12140701
Formula
C18H18O5
Exact Mass
Calculate m/z
314.115425
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
QMFKCIGTCHYXMA-WBVHZDCISA-N
InChi (Click to copy)
InChI=1S/C18H18O5/c1-10-13(21-2)9-12-14(19)15(20)17(11-7-5-4-6-8-11)23-18(12)16(10)22-3/h4-9,15,17,20H,1-3H3/t15-,17+/m1/s1
SMILES (Click to copy)
C1(C)C(OC)=C2O[C@@H](C3C=CC=CC=3)[C@H](O)C(=O)C2=CC=1OC

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

Other Databases

PubChem CID
171120345

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 3
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 286.55
Topological Polar Surface Area 67.06
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
logP 2.98
Molar Refractivity 84.94

Admin

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