Molecule

15G256ï¿½ï¿½

AlkaPlorer ID: AK546892

Synonym: None

IUPAC Name: 3-[(3S,6S,9R,12R,13R,14R)-13-hydroxy-3-(hydroxymethyl)-6-(1H-indole-3-carbonyl)-12-methyl-14-octyl-2,5,8,11-tetraoxo-1-oxa-4,7,10-triazacyclopentadec-9-yl]propanoic acid

Structure

SMILES: CCCCCCCC[C@@H]1COC(=O)[C@H](CO)N=C(O)[C@H](C(=O)C2=CNC3=CC=CC=C23)N=C(O)[C@@H](CCC(=O)O)N=C(O)[C@H](C)[C@@H]1O

InChI: InChI=1S/C33H46N4O10/c1-3-4-5-6-7-8-11-20-18-47-33(46)25(17-38)36-32(45)27(29(42)22-16-34-23-13-10-9-12-21(22)23)37-31(44)24(14-15-26(39)40)35-30(43)19(2)28(20)41/h9-10,12-13,16,19-20,24-25,27-28,34,38,41H,3-8,11,14-15,17-18H2,1-2H3,(H,35,43)(H,36,45)(H,37,44)(H,39,40)/t19-,20-,24-,25+,27+,28+/m1/s1

InChIKey: VGYBJLIFUDBDBW-VKKCZDQESA-N

Reference

Cell Wall Active Antifungal Compounds Produced by the Marine Fungus Hypoxylon oceanicum LL-15G256. II. Isolation and Structure Determination.

PubChem CID: 21774847

LOTUS: LTS0250846

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Halorosellinia oceanica	Halorosellinia	Xylariaceae	Xylariales	Sordariomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 658.7490000000003

TPSA？: 234.69

MolLogP？: 4.103600000000003

Number of H-Donors: 7

Number of H-Acceptors: 9

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi