Structure Database (LMSD)

Common Name
7alpha,11alpha-Dihydroxy-4(13),8-coloratadien-12,11-olide
Systematic Name
Synonyms
LM ID
LMPR0103380001
Status
Active
Exact Mass
Calculate m/z
264.13616
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
RKXFCMNFPWEQDW-AKHPIHOKSA-N
InChi (Click to copy)
InChI=1S/C15H20O4/c1-7-4-5-15(3)9(8(7)2)6-10(16)11-12(15)14(18)19-13(11)17/h7,9-10,14,16,18H,2,4-6H2,1,3H3/t7-,9-,10+,14+,15-/m0/s1
SMILES (Click to copy)
C1C[C@]2(C)C3[C@@](O)([H])OC(=O)C=3[C@]([H])(O)C[C@@]2([H])C(=C)[C@@]1([H])C

References

Reference
Phytochemistry. 2008, 69, 982-987.

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Discopodium penninervium (#481609)
Magnoliopsida (#3398)
Constituents of the stem bark of Discopodium penninervium and their LTB4 and COX-1 and -2 inhibitory activities.,
Phytochemistry, 2008
Pubmed ID: 18086481

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 3
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 258.22
Topological Polar Surface Area 68.83
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 2.10
Molar Refractivity 69.91

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Updated at
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