chetomin
AlkaPlorer ID: AK006224
Synonym: 'Chetomin', '', 'Chaetomin', '1403-36-7'
IUPAC Name: (1S,3S,11R,14S)-14-(hydroxymethyl)-3-[3-[[(1R,4S)-4-(hydroxymethyl)-5,7-dimethyl-6,8-dioxo-2,3-dithia-5,7-diazabicyclo[2.2.2]octan-1-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: CN1C(=O)[C@@]23C[C@]4(N5C=C(C[C@]67SS[C@@](CO)(C(=O)N6C)N(C)C7=O)C6=CC=CC=C65)C5=CC=CC=C5N[C@@H]4N2C(=O)[C@]1(CO)SS3
InChI: InChI=1S/C31H30N6O6S4/c1-33-25(42)30(15-38)34(2)23(40)28(33,44-46-30)12-17-13-36(21-11-7-4-8-18(17)21)27-14-29-24(41)35(3)31(16-39,47-45-29)26(43)37(29)22(27)32-20-10-6-5-9-19(20)27/h4-11,13,22,32,38-39H,12,14-16H2,1-3H3/t22-,27+,28-,29+,30+,31+/m1/s1
InChIKey: ZRZWBWPDBOVIGQ-OKMJTBRXSA-N
Reference
Chaetomin a new calmodulin inhibitor from Chaetomium globosum
PubChem CID: 73583
CAS: 1403-36-7
LOTUS: LTS0034927
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Chaetomium cochliodes | Chaetomium | Chaetomiaceae | Sordariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 710.8850000000001
TPSA？: 138.66
MolLogP？: 1.8734999999999995
Number of H-Donors: 3
Number of H-Acceptors: 12
RingCount: 11
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|