Thiochondrilline C
AlkaPlorer ID: AK065751
Synonym: None
IUPAC Name: methyl (2R)-2-[[(4R,10S)-10-[(3-hydroxyquinoline-2-carbonyl)amino]-5-methyl-6,9-dioxo-1,2-dithia-5,8-diazacycloundecane-4-carbonyl]-methylamino]-3-methylsulfanylpropanoate
Structure
SMILES: COC(=O)[C@H](CSC)N(C)C(=O)[C@@H]1CSSC[C@@H](NC(=O)C2=NC3=CC=CC=C3C=C2O)C(O)=NCC(=O)N1C
InChI: InChI=1S/C25H31N5O7S3/c1-29-17(24(35)30(2)18(12-38-4)25(36)37-3)13-40-39-11-16(22(33)26-10-20(29)32)28-23(34)21-19(31)9-14-7-5-6-8-15(14)27-21/h5-9,16-18,31H,10-13H2,1-4H3,(H,26,33)(H,28,34)/t16-,17+,18+/m1/s1
InChIKey: SSNMADOPSZXXTG-SQNIBIBYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Verrucosispora sp. | Micromonospora | Micromonosporaceae | Micromonosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 609.7520000000001
TPSA？: 161.73000000000002
MolLogP？: 1.5802999999999998
Number of H-Donors: 3
Number of H-Acceptors: 11
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | EC50 | 2900.0 | nM | 10.1021/acs.jnatprod.5b00428 |