Minutissamide F
AlkaPlorer ID: AK007155
Synonym: None
IUPAC Name: 3-[(3S,6S,9R,12S,15S,18S,21E,24S,27R,28R,31S)-3-(2-amino-2-oxoethyl)-28-[(2S)-10-chlorododecan-2-yl]-21-ethylidene-27-hydroxy-15,18-bis[(1R)-1-hydroxyethyl]-6-[(1R)-1-methoxyethyl]-4,9-dimethyl-2,5,8,11,14,17,20,23,26,30-decaoxo-24-propan-2-yl-1,4,7,10,13,16,19,22,25,29-decazabicyclo[29.3.0]tetratriacontan-12-yl]propanamide
Structure
SMILES: C/C=C1/N=C(O)[C@H](C(C)C)N=C(O)[C@H](O)[C@@H]([C@@H](C)CCCCCCCC(Cl)CC)N=C(O)[C@@H]2CCCN2C(=O)[C@H](CC(=N)O)N(C)C(=O)[C@H]([C@@H](C)OC)N=C(O)[C@@H](C)N=C(O)[C@H](CCC(=N)O)N=C(O)[C@H]([C@@H](C)O)N=C(O)[C@H]([C@@H](C)O)N=C1O
InChI: InChI=1S/C55H93ClN12O16/c1-12-33(56)21-18-16-14-15-17-20-28(5)41-45(73)53(81)62-40(27(3)4)50(78)60-34(13-2)47(75)64-43(31(8)70)52(80)65-42(30(7)69)51(79)61-35(23-24-38(57)71)48(76)59-29(6)46(74)66-44(32(9)84-11)55(83)67(10)37(26-39(58)72)54(82)68-25-19-22-36(68)49(77)63-41/h13,27-33,35-37,40-45,69-70,73H,12,14-26H2,1-11H3,(H2,57,71)(H2,58,72)(H,59,76)(H,60,78)(H,61,79)(H,62,81)(H,63,77)(H,64,75)(H,65,80)(H,66,74)/b34-13+/t28-,29+,30+,31+,32+,33?,35-,36-,37-,40-,41+,42-,43-,44-,45+/m0/s1
InChIKey: QDBDOUAQHHPCNC-SOYRVYTOSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Anabaena sp. | Anabaena | Nostocaceae | Nostocales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 1213.87
TPSA？: 459.4200000000001
MolLogP？: 6.412340000000016
Number of H-Donors: 15
Number of H-Acceptors: 16
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Acinetobacter baumannii | Acinetobacter baumannii | Activity | nan | None | 10.1016/j.bmc.2012.08.017 |
| Enterococcus faecalis | Enterococcus faecalis | Activity | nan | None | 10.1016/j.bmc.2012.08.017 |
| Escherichia coli | Escherichia coli | Activity | nan | None | 10.1016/j.bmc.2012.08.017 |
| Homo sapiens | MDA-MB-435 | IC50 | 1200.0 | nM | 10.1016/j.bmc.2012.08.017 |
| Mycolicibacterium smegmatis | Mycolicibacterium smegmatis | Activity | nan | None | 10.1016/j.bmc.2012.08.017 |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | Activity | nan | None | 10.1016/j.bmc.2012.08.017 |
| Staphylococcus aureus | Staphylococcus aureus | Activity | nan | None | 10.1016/j.bmc.2012.08.017 |
| Streptococcus pneumoniae | Streptococcus pneumoniae | Activity | nan | None | 10.1016/j.bmc.2012.08.017 |