Structure database (LMSD)

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LM IDLMPK15030040
Common NameVirenol C
Systematic Name5-(2R-hydroxyheptadecyl)-benzene-1-3-diol
Synonyms5-(2R-hydroxy-heptadecyl)resorcinol
Exact Mass
364.2977 (neutral)    Calculate m/z:
FormulaC23H40O3
CategoryPolyketides [PK]
Main ClassPhenolic lipids [PK15]
Sub ClassAlkyl resorcinols and derivatives [PK1503]
PubChem CID102163923
InChIKeySYXSPGMNIUYYGF-OAQYLSRUSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C23H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(24)16-20-17-22(25)19-23(26)18-20/h17-19,21,24-26H,2-16H2,1H3/t21-/m1/s1
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SMILES
C1(O)C=C(C[C@H](O)CCCCCCCCCCCCCCC)C=C(O)C=1
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StatusActive
ReferencesMyrothecol A, a New Alkylresorcinol With Cytotoxicity From Myrothecium Sp
Nat. Prod. Res 2020
DOI: 10.1080/14786419.2020.1762191
PMID: 32380855
Calculated physicochemical properties (?):
 Heavy Atoms26Rings1Aromatic Rings1Rotatable Bonds16
 van der Waals
Molecular Volume
401.65Topological Polar
Surface Area
60.69Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
3
 logP6.77Molar
Refractivity
110.31