Structure Database (LMSD)

Common Name
Tanariflavanone B
Systematic Name
5,7,4'-Trihydroxy-6-prenyl-6''-methyl,6''-(4-methylpent-3-enyl)-pyrano[2'',3'':3',2']flavanone
Synonyms
LM ID
LMPK12140428
Formula
C30H34O6
Exact Mass
Calculate m/z
490.235541
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

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)
URMUEILYNQBSDZ-SUHMBNCMSA-N
InChi (Click to copy)
InChI=1S/C30H34O6/c1-17(2)7-6-13-30(5)14-12-20-19(10-11-22(31)29(20)36-30)25-16-24(33)27-26(35-25)15-23(32)21(28(27)34)9-8-18(3)4/h7-8,10-12,14-15,25,31-32,34H,6,9,13,16H2,1-5H3/t25-,30?/m0/s1
SMILES (Click to copy)
C12C(O)=C(C/C=C(/C)\C)C(O)=CC=1O[C@H](C1C=CC(O)=C3OC(C)(CC/C=C(/C)\C)C=CC=13)CC2=O

Other Databases

CHEBI ID
66189
METABOLOMICS ID
FL2FACNP0011
PubChem CID
11113726

Calculated Physicochemical Properties

Heavy Atoms 36
Rings 4
Aromatic Rings 2
Rotatable Bonds 6
Van der Waals Molecular Volume 482.66
Topological Polar Surface Area 100.36
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 7.22
Molar Refractivity 140.57

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Updated at
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