TMC-95 C
AlkaPlorer ID: AK013625
Synonym: None
IUPAC Name: (10S,11R,12S,15R,18S)-15-(2-amino-2-oxoethyl)-10,11,23-trihydroxy-18-[[(3S)-3-methyl-2-oxopentanoyl]amino]-9,14,17-trioxo-N-[(Z)-prop-1-enyl]-8,13,16-triazatetracyclo[18.3.1.02,7.06,10]tetracosa-1(23),2(7),3,5,20(24),21-hexaene-12-carboxamide
Structure
SMILES: C/C=C\NC(=O)[C@H]1NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](NC(=O)C(=O)[C@@H](C)CC)CC2=CC=C(O)C(=C2)C2=C3NC(=O)[C@](O)(C3=CC=C2)[C@@H]1O
InChI: InChI=1S/C33H38N6O10/c1-4-11-35-30(46)25-27(43)33(49)19-8-6-7-17(24(19)39-32(33)48)18-12-16(9-10-22(18)40)13-20(37-31(47)26(42)15(3)5-2)28(44)36-21(14-23(34)41)29(45)38-25/h4,6-12,15,20-21,25,27,40,43,49H,5,13-14H2,1-3H3,(H2,34,41)(H,35,46)(H,36,44)(H,37,47)(H,38,45)(H,39,48)/b11-4-/t15-,20-,21+,25-,27+,33-/m0/s1
InChIKey: ZIAXNZCTODBCKW-QNKLOUHTSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Apiospora montagnei | Apiospora | Apiosporaceae | Xylariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 678.6990000000003
TPSA？: 266.35
MolLogP？: -1.289299999999992
Number of H-Donors: 9
Number of H-Acceptors: 10
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Unchecked | IC50 | 5.4 | nM | 10.1016/j.ejmech.2015.05.023 |