Molecule

Virgineone

AlkaPlorer ID: AK071977

Synonym: None

IUPAC Name: 3-[1,21-dihydroxy-2-methyl-11-oxo-22-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxydocosylidene]-5-[(4-hydroxyphenyl)methyl]pyrrolidine-2,4-dione

Structure

SMILES: CC(CCCCCCCCC(=O)CCCCCCCCCC(O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C(O)=C1C(=O)C(CC2=CC=C(O)C=C2)N=C1O

InChI: InChI=1S/C40H63NO12/c1-26(34(46)33-35(47)31(41-39(33)51)23-27-19-21-29(44)22-20-27)15-11-7-5-6-9-13-17-28(43)16-12-8-3-2-4-10-14-18-30(45)25-52-40-38(50)37(49)36(48)32(24-42)53-40/h19-22,26,30-32,36-38,40,42,44-46,48-50H,2-18,23-25H2,1H3,(H,41,51)/t26?,30?,31?,32-,36-,37+,38+,40-/m1/s1

InChIKey: WYXNNILAWDOXOQ-SJCLYCDYSA-N

Reference

Isolation, Structure Elucidation, and Biological Activity of Virgineone from <i>Lachnum virgineum</i> Using the Genome-Wide <i>Candida albicans</i> Fitness Test

PubChem CID: 102282865

LOTUS: LTS0243999

{

NPAtlas: NPA010133

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Lachnum virgineum	Lachnum	Lachnaceae	Helotiales	Leotiomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 749.9390000000002

TPSA？: 226.8

MolLogP？: 4.6689000000000025

Number of H-Donors: 8

Number of H-Acceptors: 12

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi