Structure Database (LMSD)

Common Name
Tanariflavanone A
Systematic Name
5,3',4'-Trihydroxy-2'-geranyl-(5''-hydroxy-6'',6''-dimethyldihydropyrano[2'',3'':7,6])flavanone
Synonyms
LM ID
LMPK12140429
Formula
C30H36O7
Exact Mass
Calculate m/z
508.246105
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
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

String Representations

InChiKey (Click to copy)
BTDKFPKJPIGYFD-NBNDFHJKSA-N
InChi (Click to copy)
InChI=1S/C30H36O7/c1-16(2)7-6-8-17(3)9-10-19-18(11-12-21(31)28(19)34)23-14-22(32)27-25(36-23)15-24-20(29(27)35)13-26(33)30(4,5)37-24/h7,9,11-12,15,23,26,31,33-35H,6,8,10,13-14H2,1-5H3/b17-9+/t23-,26?/m0/s1
SMILES (Click to copy)
C12C(O)=C3CC(O)C(C)(C)OC3=CC=1O[C@H](C1C(C/C=C(/CC/C=C(/C)\C)\C)=C(O)C(O)=CC=1)CC2=O

Other Databases

CHEBI ID
66188
METABOLOMICS ID
FL2FACNP0012
PubChem CID
11730903

Calculated Physicochemical Properties

Heavy Atoms 37
Rings 4
Aromatic Rings 2
Rotatable Bonds 6
Van der Waals Molecular Volume 494.09
Topological Polar Surface Area 120.59
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 6.39
Molar Refractivity 141.76

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Updated at
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