Chaetocochin B
AlkaPlorer ID: AK061604
Synonym: None
IUPAC Name: (1S,11S,14S,19R,22S,25S)-22-(hydroxymethyl)-12,34,35-trimethyl-11,14-bis(methylsulfanyl)-16-oxa-23,24-dithia-2,12,18,20,34,35-hexazanonacyclo[16.8.6.211,14.222,25.12,9.01,19.03,8.020,25.027,32]heptatriaconta-3,5,7,9(37),27,29,31-heptaene-13,21,33,36-tetrone
Structure
SMILES: CS[C@]12COCN3C4=CC=CC=C4[C@]4(C[C@@]56SS[C@@](CO)(C(=O)N5[C@@H]34)N(C)C6=O)N3C=C(C[C@](SC)(C(=O)N1C)N(C)C2=O)C1=CC=CC=C13
InChI: InChI=1S/C34H36N6O6S4/c1-35-28(44)34(48-5)18-46-19-38-24-13-9-7-11-22(24)30(16-32-27(43)36(2)33(17-41,50-49-32)29(45)40(32)25(30)38)39-15-20(21-10-6-8-12-23(21)39)14-31(35,47-4)26(42)37(34)3/h6-13,15,25,41H,14,16-19H2,1-5H3/t25-,30+,31+,32+,33+,34+/m1/s1
InChIKey: RSFRRLFLAIGXJQ-UCBAHZDZSA-N
Reference
PubChem CID: 139584355
LOTUS: LTS0166653
SuperNatural Ⅲ: SN0333883-01
{NPAtlas: NPA004550
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Chaetomium cochliodes | Chaetomium | Chaetomiaceae | Sordariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 752.966
TPSA？: 118.86999999999998
MolLogP？: 2.594400000000001
Number of H-Donors: 1
Number of H-Acceptors: 12
RingCount: 11
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|