6)16-14-18(27)26(7
AlkaPlorer ID: AK388009
Synonym: None
IUPAC Name: (2S,3R,4R,5R,7S)-5-chloro-4-ethenyl-3-isocyano-4,8,8-trimethyl-15-(2-methylbut-3-en-2-yl)-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),9(16),10,12-tetraene
Structure
SMILES: [C-]#[N+][C@@H]1[C@@H]2C3=C(C(C)(C)C=C)NC4=CC=CC(=C34)C(C)(C)[C@H]2C[C@@H](Cl)[C@]1(C)C=C
InChI: InChI=1S/C26H31ClN2/c1-9-24(3,4)22-21-19-15(12-11-13-17(19)29-22)25(5,6)16-14-18(27)26(7,10-2)23(28-8)20(16)21/h9-13,16,18,20,23,29H,1-2,14H2,3-7H3/t16-,18+,20-,23+,26-/m0/s1
InChIKey: GHYIJWADNLIVDB-UMIISBCRSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hapalosiphon delicatulus | Hapalosiphon | Hapalosiphonaceae | Nostocales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 407.0010000000002
TPSA？: 20.15
MolLogP？: 7.113790000000006
Number of H-Donors: 1
Number of H-Acceptors: 0
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus anthracis | Bacillus anthracis | MIC | 1000.0 | nM | 10.1021/np800751j |
| Candida albicans | Candida albicans | MIC | 1000.0 | nM | 10.1021/np800751j |
| Chlorocebus sabaeus | Vero | IC50 | 26000.0 | nM | 10.1021/np800751j |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | 46700.0 | nM | 10.1016/j.ejmech.2017.06.005 |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | 46700.0 | nM | 10.1021/np800751j |
| Mycolicibacterium smegmatis | Mycolicibacterium smegmatis | MIC | 14800.0 | nM | 10.1021/np800751j |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 1800.0 | nM | 10.1021/np800751j |