Structure Database (LMSD)

OH O OH HO OH O O
Common Name
Abyssinoflavanone V
Systematic Name
5,7,3'-Trihydroxy-2'-prenyl-(5''-hydroxy-6'',6''-dimethyldihydropyrano[2'',3'':4',5'])flavanone
Synonyms
LM ID
LMPK12140430
Formula
C25H28O7
Exact Mass
Calculate m/z
440.183505
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)
PKRYDKCBXWCSAM-FPOVZHCZSA-N
InChi (Click to copy)
InChI=1S/C25H28O7/c1-12(2)5-6-15-16(7-13-8-21(29)25(3,4)32-24(13)23(15)30)19-11-18(28)22-17(27)9-14(26)10-20(22)31-19/h5,7,9-10,19,21,26-27,29-30H,6,8,11H2,1-4H3/t19-,21-/m0/s1
SMILES (Click to copy)
C12C(O)=CC(O)=CC=1O[C@H](C1C(C/C=C(/C)\C)=C(O)C3OC(C)(C)[C@@H](O)CC=3C=1)CC2=O

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL2FACNP0013
PubChem CID
10741771

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 4
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 410.23
Topological Polar Surface Area 120.59
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 4.67
Molar Refractivity 118.77

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Created at
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Updated at
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