Chaetoglobolsin-510
AlkaPlorer ID: AK026801
Synonym: None
IUPAC Name: (1S,3E,7E,9S,11E,13S,16S,17R,18S)-16-ethyl-18-[(1R)-1-(1H-indol-3-yl)ethyl]-7,9,15-trimethyl-19-azatricyclo[11.7.0.01,17]icosa-3,7,11,14-tetraene-2,20-dione
Structure
SMILES: CC[C@@H]1C(C)=C[C@@H]2/C=C/C[C@H](C)/C=C(\C)CC/C=C/C(=O)[C@]23C(=O)N[C@@H]([C@H](C)C2=CNC4=CC=CC=C24)[C@H]13
InChI: InChI=1S/C34H42N2O2/c1-6-26-23(4)19-25-14-11-13-22(3)18-21(2)12-7-10-17-30(37)34(25)31(26)32(36-33(34)38)24(5)28-20-35-29-16-9-8-15-27(28)29/h8-11,14-20,22,24-26,31-32,35H,6-7,12-13H2,1-5H3,(H,36,38)/b14-11+,17-10+,21-18+/t22-,24+,25-,26+,31-,32-,34+/m0/s1
InChIKey: MMDCZRJSKCICND-PYZWPHHPSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 510.72200000000015
TPSA？: 61.96
MolLogP？: 7.422500000000007
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | MC-38 | Activity | 150.0 | Zone units | 10.1021/np050293f |
| Rattus norvegicus | A10 | Activity | nan | None | 10.1021/np050293f |