Molecule

(7Z)-17-ethyl-19-[1-(1H-indol-3-yl)ethyl]-7,9,16-trimethyl-15-oxa-20-azatetracyclo[11.8.0.0¹,¹?.0¹?,¹?]henicosa-3,7,11-triene-2,5,6,21-tetrone

AlkaPlorer ID: AK585246

Synonym: None

IUPAC Name: (1R,3E,7E,9S,11E,13R,14S,16R,17S,18R,19S)-17-ethyl-19-[(1R)-1-(1H-indol-3-yl)ethyl]-7,9,16-trimethyl-15-oxa-20-azatetracyclo[11.8.0.01,18.014,16]henicosa-3,7,11-triene-2,5,6,21-tetrone

Structure

SMILES: CC[C@H]1[C@H]2[C@H]([C@H](C)C3=CNC4=CC=CC=C34)N=C(O)[C@]23C(=O)/C=C/C(=O)C(=O)/C(C)=C/[C@@H](C)C/C=C/[C@H]3[C@@H]2O[C@]12C

InChI: InChI=1S/C34H38N2O5/c1-6-23-28-29(20(4)22-17-35-25-13-8-7-11-21(22)25)36-32(40)34(28)24(31-33(23,5)41-31)12-9-10-18(2)16-19(3)30(39)26(37)14-15-27(34)38/h7-9,11-18,20,23-24,28-29,31,35H,6,10H2,1-5H3,(H,36,40)/b12-9+,15-14+,19-16+/t18-,20+,23-,24-,28-,29-,31-,33+,34+/m0/s1

InChIKey: YSZYUDIGZCUITO-FHUIUWGPSA-N

Reference

Chaetoglobosin M, a New Metabolite of a Mutant of <i>Diplodia macrospora</i>, belonging to the family of (1<i>H</i>‐indol‐3‐yl)‐substituted 10,11‐diethyl‐10,11‐dinorcytochalasans

PubChem CID: 163190478

LOTUS: LTS0028107

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Stenocarpella macrospora	Stenocarpella	Diaporthaceae	Diaporthales	Sordariomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 554.6870000000002

TPSA？: 112.11999999999998

MolLogP？: 5.832000000000005

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi