Structure Database (LMSD)

Common Name
Myrothecol A
Systematic Name
3-(2R-hydroxyheptadecyl)-5-methoxyphenol
Synonyms
  • 1-O-methyl-virenol C
LM ID
LMPK15030039
Status
Active
Exact Mass
Calculate m/z
378.313395
Formula


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MDLMOL SDF CSV TSV
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Main

Classification

String Representations

InChiKey (Click to copy)
UBRAADIEZVEAJN-JOCHJYFZSA-N
InChi (Click to copy)
InChI=1S/C24H42O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22(25)17-21-18-23(26)20-24(19-21)27-2/h18-20,22,25-26H,3-17H2,1-2H3/t22-/m1/s1
SMILES (Click to copy)
C1(O)C=C(C[C@H](O)CCCCCCCCCCCCCCC)C=C(OC)C=1

References

Reference
Myrothecol A, a New Alkylresorcinol With Cytotoxicity From Myrothecium Sp
Nat. Prod. Res 2020
DOI: 10.1080/14786419.2020.1762191
PMID: 32380855

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Myrothecium sp. (#1756106)
Sordariomycetes (#147550)
Myrothecol A, a new alkylresorcinol with cytotoxicity from Myrothecium sp.,
Nat Prod Res, 2020
Pubmed ID: 32380855

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 1
Aromatic Rings 1
Rotatable Bonds 17
Van der Waals Molecular Volume 418.95
Topological Polar Surface Area 49.69
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 7.07
Molar Refractivity 115.19

Admin

Created at
12th May 2020
Updated at
12th May 2020