Minutissamide B
AlkaPlorer ID: AK056344
Synonym: None
IUPAC Name: 2-[(3S,6S,9R,12S,15E,18S,21E,24S,27R,28R,31S)-3,18-bis(2-amino-2-oxoethyl)-28-[(2S)-10-chlorodecan-2-yl]-15,21-di(ethylidene)-27-hydroxy-6-[(1R)-1-hydroxyethyl]-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]acetamide
Structure
SMILES: C/C=C1/N=C(O)[C@H](CC(=N)O)N=C(O)/C(=C\C)N=C(O)[C@H](C(C)C)N=C(O)[C@H](O)[C@@H]([C@@H](C)CCCCCCCCCl)N=C(O)[C@@H]2CCCN2C(=O)[C@H](CC(=N)O)N(C)C(=O)[C@H]([C@@H](C)O)N=C(O)[C@@H](C)N=C(O)[C@H](CC(=N)O)N=C1O
InChI: InChI=1S/C51H82ClN13O15/c1-9-29-43(72)59-31(22-35(53)67)45(74)56-27(6)42(71)63-40(28(7)66)51(80)64(8)34(24-37(55)69)50(79)65-21-17-19-33(65)47(76)62-39(26(5)18-15-13-11-12-14-16-20-52)41(70)49(78)61-38(25(3)4)48(77)58-30(10-2)44(73)60-32(23-36(54)68)46(75)57-29/h9-10,25-28,31-34,38-41,66,70H,11-24H2,1-8H3,(H2,53,67)(H2,54,68)(H2,55,69)(H,56,74)(H,57,75)(H,58,77)(H,59,72)(H,60,73)(H,61,78)(H,62,76)(H,63,71)/b29-9+,30-10+/t26-,27+,28+,31-,32-,33-,34-,38-,39+,40-,41+/m0/s1
InChIKey: BVPWTFZHTABZAH-IXKBYUEASA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Anabaena minutissima | Anabaena | Nostocaceae | Nostocales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 1152.746
TPSA？: 474.0400000000001
MolLogP？: 6.28851000000001
Number of H-Donors: 16
Number of H-Acceptors: 15
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HT-29 | IC50 | 20000.0 | nM | 10.1021/np2002226 |