Structure database (LMSD)

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LM IDLMPK12100028
Common NameMammeigin
Systematic Name5-Hydroxy-6'',6''-dimethyl-6-(3-methylbutyryl)-4-phenylpyrano[2'',3'':7,
8]coumarin
Synonyms-
Exact Mass
404.1624 (neutral)    Calculate m/z:
FormulaC25H24O5
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassNeoflavonoids [PK1210]
PubChem CID5319255
METABOLOMICS IDFLNAA9NP0007
HMDB IDHMDB0030785
InChIKeyVSDJRZADBKXDHP-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C25H24O5/c1-14(2)12-18(26)21-22(28)20-17(15-8-6-5-7-9-15)13-19(27)29-23
(20)16-10-11-25(3,4)30-24(16)21/h5-11,13-14,28H,12H2,1-4H3
SMILESC12OC(C)(C)C=CC=1C1OC(=O)C=C(C3C=CC=CC=3)C=1C(O)=C2C(=O)CC(C)C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms30Rings4Aromatic Rings3Rotatable Bonds4
 van der Waals
Molecular Volume
376.47Topological Polar
Surface Area
78.81Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
5
 logP6.76Molar
Refractivity
117.73