Molecule

15G256γ

AlkaPlorer ID: AK089507

Synonym: '15G256γ'

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

Structure

SMILES: CCCCCC[C@@H](C)[C@@H]1OC(=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]1C

InChI: InChI=1S/C31H42N4O9/c1-4-5-6-7-10-17(2)27-18(3)28(40)33-22(13-14-24(37)38)29(41)35-25(30(42)34-23(16-36)31(43)44-27)26(39)20-15-32-21-12-9-8-11-19(20)21/h8-9,11-12,15,17-18,22-23,25,27,32,36H,4-7,10,13-14,16H2,1-3H3,(H,33,40)(H,34,42)(H,35,41)(H,37,38)/t17-,18+,22-,23+,25+,27+/m1/s1

InChIKey: AKOIRKAANAYPTN-KGHGARHZSA-N

Reference

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

PubChem CID: 10746350

LOTUS: LTS0193327

Source

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

Properties Information

Molecule Weight: 614.6960000000003

TPSA？: 214.45999999999995

MolLogP？: 4.351000000000003

Number of H-Donors: 6

Number of H-Acceptors: 8

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi