Chaetocochin C
AlkaPlorer ID: AK061607
Synonym: None
IUPAC Name: (1S,3S,11R,14S)-14-(hydroxymethyl)-3-[3-[[(2S,5S)-5-(hydroxymethyl)-1,4-dimethyl-2,5-bis(methylsulfanyl)-3,6-dioxopiperazin-2-yl]methyl]indol-1-yl]-18-methyl-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-triene-13,17-dione
Structure
SMILES: CS[C@@]1(CO)C(=O)N(C)[C@@](CC2=CN([C@]34C[C@@]56SS[C@@](CO)(C(=O)N5[C@H]3NC3=CC=CC=C34)N(C)C6=O)C3=CC=CC=C23)(SC)C(=O)N1C
InChI: InChI=1S/C33H36N6O6S4/c1-35-27(44)32(17-40,47-5)36(2)25(42)30(35,46-4)14-19-15-38(23-13-9-6-10-20(19)23)29-16-31-26(43)37(3)33(18-41,49-48-31)28(45)39(31)24(29)34-22-12-8-7-11-21(22)29/h6-13,15,24,34,40-41H,14,16-18H2,1-5H3/t24-,29+,30+,31+,32+,33+/m1/s1
InChIKey: DNXUJPNYOCDWFN-ZIBPZDQUSA-N
Reference
PubChem CID: 44559109
LOTUS: LTS0085498
SuperNatural Ⅲ: SN0070748-01
NPASS: NPC297862
{NPAtlas: NPA016019
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Chaetomium cochliodes | Chaetomium | Chaetomiaceae | Sordariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 740.9549999999999
TPSA？: 138.66
MolLogP？: 2.2044999999999986
Number of H-Donors: 3
Number of H-Acceptors: 12
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | NON-PROTEIN TARGET | GI50 | 0.4 | ug.mL-1 | 10.1021/np0602970 |
| None | NON-PROTEIN TARGET | GI50 | 1.9 | ug.mL-1 | 10.1021/np0602970 |