Molecule

prochaetoglobosin II

AlkaPlorer ID: AK036510

Synonym: '', 'Prochaetoglobosin II', '133625-26-0'

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

Structure

SMILES: CC1=C[C@@H]2/C=C/C[C@H](C)/C=C(\C)CC(=O)/C=C\C(=O)[C@]23C(=O)N[C@@H](CC2=CNC4=CC=CC=C24)[C@@H]3[C@@H]1C

InChI: InChI=1S/C32H36N2O3/c1-19-8-7-9-24-16-21(3)22(4)30-28(17-23-18-33-27-11-6-5-10-26(23)27)34-31(37)32(24,30)29(36)13-12-25(35)15-20(2)14-19/h5-7,9-14,16,18-19,22,24,28,30,33H,8,15,17H2,1-4H3,(H,34,37)/b9-7+,13-12-,20-14+/t19-,22+,24-,28-,30-,32+/m0/s1

InChIKey: ZWMGAOFPDWVLLV-WVXRVHBYSA-N

Reference

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

PubChem CID: 71768072

LOTUS: LTS0096300

NPASS: NPC325496

Source

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

Properties Information

Molecule Weight: 496.6510000000002

TPSA？: 79.03

MolLogP？: 5.650400000000006

Number of H-Donors: 2

Number of H-Acceptors: 3

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi