Structure database (LMSD)

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LM IDLMPK13090008
Common NameChlorophorin
Systematic Name-
Synonyms-
Exact Mass
380.1988 (neutral)    Calculate m/z:
FormulaC24H28O4
CategoryPolyketides [PK]
Main ClassAromatic polyketides [PK13]
Sub ClassDiphenyl ethers, biphenyls, dibenzyls and stilbenes [PK1309]
PubChem CID5281713
KEGG IDC10250
InChIKeyOEILZVSHVTYHKL-MZYNZGBKSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C24H28O4/c1-16(2)5-4-6-17(3)7-12-21-23(27)13-18(14-24(21)28)8-9-19-10-1
1-20(25)15-22(19)26/h5,7-11,13-15,25-28H,4,6,12H2,1-3H3/b9-8+,17-7+
SMILESC1(C/C=C(\C)/CC/C=C(\C)/C)=C(O)C=C(/C=C/C2=CC=C(O)C=C2O)C=C1O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms28Rings2Aromatic Rings2Rotatable Bonds7
 van der Waals
Molecular Volume
388.64Topological Polar
Surface Area
80.92Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
4
 logP5.91Molar
Refractivity
114.60