Structure Database (LMSD)

Common Name
Amorin
Systematic Name
(2S)-2-(2,2-Dimethyl-8-hydroxy-2H-1-benzopyran-6-yl)-5-hydroxy-8,8-dimethyl-10-prenyl-2H,8H-benzo[1,2-b:5,4-b']dipyran-4(3H)-one
Synonyms
LM ID
LMPK12140422
Formula
C30H32O6
Exact Mass
Calculate m/z
488.219891
Status
Curated
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/
Amorpha fruticosa (#48131)
Magnoliopsida (#3398)
New prenylated chromenoflavanones from Amorpha fruticosa,
Fitoterapia, 1988

String Representations

InChiKey (Click to copy)
HRNLTDFVEVHLFF-QHCPKHFHSA-N
InChi (Click to copy)
InChI=1S/C30H32O6/c1-16(2)7-8-20-27-19(10-12-30(5,6)36-27)25(33)24-21(31)15-23(34-28(20)24)18-13-17-9-11-29(3,4)35-26(17)22(32)14-18/h7,9-14,23,32-33H,8,15H2,1-6H3/t23-/m0/s1
SMILES (Click to copy)
C12C=CC(C)(C)OC1=C(C/C=C(\C)/C)C1O[C@H](C3C=C(O)C4OC(C)(C)C=CC=4C=3)CC(=O)C=1C=2O

Other Databases

METABOLOMICS ID
FL2FACNP0005
PubChem CID
102318110

Calculated Physicochemical Properties

Heavy Atoms 36
Rings 5
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 470.30
Topological Polar Surface Area 91.43
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
logP 7.25
Molar Refractivity 140.17

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Created at
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Updated at
7th Oct 2026