Minutissamide I
AlkaPlorer ID: AK006206
Synonym: None
IUPAC Name: 3-[(3S,6S,12S,15S,18S,21E,24S,27R,28R,31S)-3-(2-amino-2-oxoethyl)-21-ethylidene-27-hydroxy-15,18-bis[(1R)-1-hydroxyethyl]-6-[(1R)-1-methoxyethyl]-4-methyl-2,5,8,11,14,17,20,23,26,30-decaoxo-28-[(2S)-13-oxohexadecan-2-yl]-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)CCCCCCCCCCC(=O)CCC)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)CN=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/C58H98N12O17/c1-11-22-36(73)24-20-18-16-14-13-15-17-19-23-32(5)45-49(77)56(84)65-44(31(3)4)53(81)62-37(12-2)51(79)67-47(34(7)72)55(83)68-46(33(6)71)54(82)63-38(26-27-41(59)74)50(78)61-30-43(76)64-48(35(8)87-10)58(86)69(9)40(29-42(60)75)57(85)70-28-21-25-39(70)52(80)66-45/h12,31-35,38-40,44-49,71-72,77H,11,13-30H2,1-10H3,(H2,59,74)(H2,60,75)(H,61,78)(H,62,81)(H,63,82)(H,64,76)(H,65,84)(H,66,80)(H,67,79)(H,68,83)/b37-12+/t32-,33+,34+,35+,38-,39-,40-,44-,45+,46-,47-,48-,49+/m0/s1
InChIKey: AMMOFLIZXVOQED-SQXQCVBBSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Anabaena sp. | Anabaena | Nostocaceae | Nostocales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 1235.489
TPSA？: 476.4900000000002
MolLogP？: 6.545940000000018
Number of H-Donors: 15
Number of H-Acceptors: 17
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 | 2900.0 | 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 |