Structure Database (LMSD)

Common Name
Isoamoritin
Systematic Name
5,7,3'-Trihydroxy-4'-methoxy-6,8,5'-triprenylflavanone
Synonyms
LM ID
LMPK12140384
Formula
C31H38O6
Exact Mass
Calculate m/z
506.26684
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)
YSSBXXIEFDCVDX-SANMLTNESA-N
InChi (Click to copy)
InChI=1S/C31H38O6/c1-17(2)8-11-20-14-21(15-25(33)30(20)36-7)26-16-24(32)27-29(35)22(12-9-18(3)4)28(34)23(31(27)37-26)13-10-19(5)6/h8-10,14-15,26,33-35H,11-13,16H2,1-7H3/t26-/m0/s1
SMILES (Click to copy)
C1(O)C(C/C=C(\C)/C)=C2O[C@H](C3C=C(O)C(OC)=C(C/C=C(/C)\C)C=3)CC(=O)C2=C(O)C=1C/C=C(/C)\C

Other Databases

CHEBI ID
184709
METABOLOMICS ID
FL2FAENI0003
PubChem CID
42607986

Calculated Physicochemical Properties

Heavy Atoms 37
Rings 3
Aromatic Rings 2
Rotatable Bonds 8
Van der Waals Molecular Volume 512.32
Topological Polar Surface Area 98.29
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 7.04
Molar Refractivity 146.15

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Updated at
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