Structure Database (LMSD)

Common Name
Chlorophorin
Systematic Name
Synonyms
LM ID
LMPK13090008
Formula
C24H28O4
Exact Mass
Calculate m/z
380.198761
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Aromatic polyketides [PK13]
Diphenyl ethers, biphenyls, dibenzyls and stilbenes [PK1309]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Milicia excelsa (#58664)
Magnoliopsida (#3398)
Chlorophorin, a constituent of iroko, the timber of Chlorophora excelsa.,
Nature, 1949
Pubmed ID: 18117113

String Representations

InChiKey (Click to copy)
OEILZVSHVTYHKL-MZYNZGBKSA-N
InChi (Click to copy)
InChI=1S/C24H28O4/c1-16(2)5-4-6-17(3)7-12-21-23(27)13-18(14-24(21)28)8-9-19-10-11-20(25)15-22(19)26/h5,7-11,13-15,25-28H,4,6,12H2,1-3H3/b9-8+,17-7+
SMILES (Click to copy)
C1(C/C=C(\C)/CC/C=C(\C)/C)=C(O)C=C(/C=C/C2=CC=C(O)C=C2O)C=C1O

Other Databases

KEGG ID
C10250
CHEBI ID
3629
PubChem CID
5281713

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 2
Aromatic Rings 2
Rotatable Bonds 7
Van der Waals Molecular Volume 388.64
Topological Polar Surface Area 80.92
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 4
logP 5.91
Molar Refractivity 114.60

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Created at
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Updated at
5th Feb 2022