Molecule

prochaetoglobosin I

AlkaPlorer ID: AK043454

Synonym: '', 'Prochaetoglobosin I', '133613-77-1'

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-2,20-dione

Structure

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

InChI: InChI=1S/C32H38N2O2/c1-20-10-5-8-15-29(35)32-25(12-9-11-21(2)16-20)17-22(3)23(4)30(32)28(34-31(32)36)18-24-19-33-27-14-7-6-13-26(24)27/h6-9,12-17,19,21,23,25,28,30,33H,5,10-11,18H2,1-4H3,(H,34,36)/b12-9+,15-8-,20-16+/t21-,23+,25-,28-,30-,32+/m0/s1

InChIKey: PAFRQNXHHHYHMF-YOJZVGJQSA-N

Reference

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

PubChem CID: 71768071

LOTUS: LTS0195601

NPASS: NPC323745

Source

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

Properties Information

Molecule Weight: 482.6680000000002

TPSA？: 61.96

MolLogP？: 6.471400000000006

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi