Chaetocochin A
AlkaPlorer ID: AK020780
Synonym: None
IUPAC Name: (1S,11S,14S,19R,22S,25S)-22-(hydroxymethyl)-12,23,33-trimethyl-11,14,22,25-tetrakis(methylsulfanyl)-16-oxa-2,12,18,20,23,33-hexazaoctacyclo[16.8.6.211,14.12,9.01,19.03,8.020,25.027,32]pentatriaconta-3,5,7,9(35),27,29,31-heptaene-13,21,24,34-tetrone
Structure
SMILES: CS[C@]12COCN3C4=CC=CC=C4[C@]4(C[C@]5(SC)C(=O)N(C)[C@@](CO)(SC)C(=O)N5[C@@H]34)N3C=C(C[C@](SC)(C(=O)N1C)N(C)C2=O)C1=CC=CC=C13
InChI: InChI=1S/C36H42N6O6S4/c1-37-30(46)36(52-7)20-48-21-40-26-15-11-9-13-24(26)32(18-34(50-5)29(45)38(2)35(19-43,51-6)31(47)42(34)27(32)40)41-17-22(23-12-8-10-14-25(23)41)16-33(37,49-4)28(44)39(36)3/h8-15,17,27,43H,16,18-21H2,1-7H3/t27-,32+,33+,34+,35+,36+/m1/s1
InChIKey: DOTYKRRRMXXIPL-ISYIGULMSA-N
Reference
PubChem CID: 16086610
LOTUS: LTS0087262
SuperNatural Ⅲ: SN0071410-01
NPASS: NPC253987
{NPAtlas: NPA002573
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Chaetomium cochliodes | Chaetomium | Chaetomiaceae | Sordariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 783.036
TPSA？: 118.86999999999998
MolLogP？: 2.9254000000000016
Number of H-Donors: 1
Number of H-Acceptors: 12
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | NON-PROTEIN TARGET | GI50 | 3.4 | ug.mL-1 | 10.1021/np0602970 |
| None | NON-PROTEIN TARGET | GI50 | 4.1 | ug.mL-1 | 10.1021/np0602970 |
| None | NON-PROTEIN TARGET | GI50 | 7.0 | ug.mL-1 | 10.1021/np0602970 |