Molecule

chaetoglobosin B

AlkaPlorer ID: AK021169

Synonym: '', 'Chaetoglobosin B', '50335-04-1'

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

Structure

SMILES: CC1=C(C)[C@H]2[C@H](CC3=CNC4=CC=CC=C34)N=C(O)[C@]23C(=O)/C=C\C(=O)[C@H](O)/C(C)=C\[C@@H](C)C/C=C\[C@H]3[C@@H]1O

InChI: InChI=1S/C32H36N2O5/c1-17-8-7-10-23-30(38)20(4)19(3)28-25(15-21-16-33-24-11-6-5-9-22(21)24)34-31(39)32(23,28)27(36)13-12-26(35)29(37)18(2)14-17/h5-7,9-14,16-17,23,25,28-30,33,37-38H,8,15H2,1-4H3,(H,34,39)/b10-7-,13-12-,18-14-/t17-,23-,25-,28-,29+,30+,32+/m0/s1

InChIKey: VUEFRYQBOMQOMV-QGODYLGVSA-N

Reference

Chaetoglobosins, cytotoxic 10-(indol-3-yl)-(13)cytochalasans from Chaetomium spp. IV. 13C-Nuclear magnetic resonance spectra and their application to a biosynthetic study.

PubChem CID: 102093916

LOTUS: LTS0263124

NPASS: NPC268604

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Maytenus hookeri	Maytenus	Celastraceae	Celastrales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 528.6490000000003

TPSA？: 122.98

MolLogP？: 4.576400000000004

Number of H-Donors: 4

Number of H-Acceptors: 5

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi