Molecule

Isochaetoglobosin J

AlkaPlorer ID: AK082618

Synonym: None

IUPAC Name: (1S,9S,13S,16S,17R,18S)-18-(1H-indol-3-ylmethyl)-7,9,15,16-tetramethyl-19-azatricyclo[11.7.0.01,17]icosa-7,11,14-triene-2,5,6,20-tetrone

Structure

SMILES: CC1=C[C@@H](C)CC=C[C@H]2C=C(C)[C@@H](C)[C@H]3[C@H](CC4=CNC5=CC=CC=C45)N=C(O)[C@@]23C(=O)CCC(=O)C1=O

InChI: InChI=1S/C32H36N2O4/c1-18-8-7-9-23-15-19(2)21(4)29-26(16-22-17-33-25-11-6-5-10-24(22)25)34-31(38)32(23,29)28(36)13-12-27(35)30(37)20(3)14-18/h5-7,9-11,14-15,17-18,21,23,26,29,33H,8,12-13,16H2,1-4H3,(H,34,38)/t18-,21+,23-,26-,29-,32+/m0/s1

InChIKey: DWPNLDBISFNQGI-NJHZBBGFSA-N

Reference

Useful approach to find the plausible biosynthetic precursors of secondary metabolites using P-450 inhibitors: postulated intermediates of chaetoglobosin A

PubChem CID: 139588495

LOTUS: LTS0093991

{

NPAtlas: NPA019387

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Chaetomium subaffine	Chaetomium	Chaetomiaceae	Sordariales	Sordariomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 512.6500000000003

TPSA？: 99.58999999999996

MolLogP？: 5.893700000000005

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi