(E)-N-(7-ethenyl-6-hydroxy-7,10,10-trimethyl-9-oxo-5,6,7,8,8a,9,10,10a-octahydroanthracen-1-yl)carboximidic acid
AlkaPlorer ID: AK137110
Synonym: None
IUPAC Name: N-[(6R,7S,10aS)-7-ethenyl-6-hydroxy-7,10,10-trimethyl-9-oxo-6,8,8a,10a-tetrahydro-5H-anthracen-1-yl]formamide
Structure
SMILES: C=C[C@]1(C)CC2C(=O)C3=C(C=CC=C3N=CO)C(C)(C)[C@H]2C[C@H]1O
InChI: InChI=1S/C20H25NO3/c1-5-20(4)10-12-14(9-16(20)23)19(2,3)13-7-6-8-15(21-11-22)17(13)18(12)24/h5-8,11-12,14,16,23H,1,9-10H2,2-4H3,(H,21,22)/t12?,14-,16+,20+/m0/s1
InChIKey: BMNMZWYECBBAJT-BRDOWUMCSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Westiellopsis | Hapalosiphonaceae | Nostocales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
| Fischerella muscicola | Fischerella | Hapalosiphonaceae | Nostocales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 327.4240000000001
TPSA？: 69.89
MolLogP？: 3.957700000000003
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Acinetobacter baumannii | Acinetobacter baumannii | MIC | 100000.0 | nM | 10.1016/j.bmc.2012.06.030 |
| Candida albicans | Candida albicans | MIC | 100000.0 | nM | 10.1016/j.bmc.2012.06.030 |
| Chlorocebus sabaeus | Vero | IC50 | 100000.0 | nM | 10.1016/j.bmc.2012.06.030 |
| Escherichia coli | Escherichia coli | MIC | 100000.0 | nM | 10.1016/j.bmc.2012.06.030 |
| Homo sapiens | HT-29 | IC50 | nan | None | 10.1016/j.bmc.2012.06.030 |
| Homo sapiens | IMR-90 | IC50 | 100000.0 | nM | 10.1016/j.bmc.2012.06.030 |
| Homo sapiens | MCF7 | IC50 | 100000.0 | nM | 10.1016/j.bmc.2012.06.030 |
| Homo sapiens | NCI-H460 | IC50 | 100000.0 | nM | 10.1016/j.bmc.2012.06.030 |
| Homo sapiens | SF-268 | IC50 | 100000.0 | nM | 10.1016/j.bmc.2012.06.030 |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | 100000.0 | nM | 10.1016/j.bmc.2012.06.030 |
| Mycolicibacterium smegmatis | Mycolicibacterium smegmatis | MIC | 100000.0 | nM | 10.1016/j.bmc.2012.06.030 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 100000.0 | nM | 10.1016/j.bmc.2012.06.030 |