Cochinmicin I; 2-Epimer, 17-hydroxy, 5''-chloro
AlkaPlorer ID: AK292744
Synonym: Cochinmicin IV
IUPAC Name: N-[1-[[12-benzyl-3,6-bis(3,5-dihydroxyphenyl)-9-(hydroxymethyl)-16-methyl-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]amino]-1-oxo-3-phenylpropan-2-yl]-5-chloro-1H-pyrrole-2-carboxamide
Structure
SMILES: CC1OC(=O)C(C2=CC(O)=CC(O)=C2)N=C(O)C(C2=CC(O)=CC(O)=C2)N=C(O)C(CO)N=C(O)C(CC2=CC=CC=C2)N=C(O)C1N=C(O)C(CC1=CC=CC=C1)NC(=O)C1=CC=C(Cl)N1
InChI: InChI=1S/C46H46ClN7O13/c1-23-37(52-42(62)34(15-25-10-6-3-7-11-25)49-40(60)32-12-13-36(47)48-32)44(64)50-33(14-24-8-4-2-5-9-24)41(61)51-35(22-55)43(63)53-38(26-16-28(56)20-29(57)17-26)45(65)54-39(46(66)67-23)27-18-30(58)21-31(59)19-27/h2-13,16-21,23,33-35,37-39,48,55-59H,14-15,22H2,1H3,(H,49,60)(H,50,64)(H,51,61)(H,52,62)(H,53,63)(H,54,65)
InChIKey: IGUQVVLOCYHROT-UHFFFAOYSA-N
Reference
Additional cochinmicins from A Microbispora sp.
PubChem CID: 197547
CAS: 146874-41-1
LOTUS: LTS0123847
COCONUT: CNP0263204.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Microbispora sp. | Microbispora | Streptosporangiaceae | Streptosporangiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 940.363
TPSA？: 335.29
MolLogP？: 5.382800000000003
Number of H-Donors: 12
Number of H-Acceptors: 13
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|