Minutissamide A
AlkaPlorer ID: AK043220
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)-decan-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)CCCCCCCC)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/C51H83N13O15/c1-10-13-14-15-16-17-19-26(6)39-41(69)49(77)60-38(25(4)5)48(76)57-30(12-3)44(72)59-32(23-36(53)67)46(74)56-29(11-2)43(71)58-31(22-35(52)66)45(73)55-27(7)42(70)62-40(28(8)65)51(79)63(9)34(24-37(54)68)50(78)64-21-18-20-33(64)47(75)61-39/h11-12,25-28,31-34,38-41,65,69H,10,13-24H2,1-9H3,(H2,52,66)(H2,53,67)(H2,54,68)(H,55,73)(H,56,74)(H,57,76)(H,58,71)(H,59,72)(H,60,77)(H,61,75)(H,62,70)/b29-11+,30-12+/t26-,27+,28+,31-,32-,33-,34-,38-,39+,40-,41+/m0/s1
InChIKey: CDKFNTHBTCWURX-GCFIISOESA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Anabaena minutissima | Anabaena | Nostocaceae | Nostocales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 1118.301
TPSA？: 474.0400000000001
MolLogP？: 6.069610000000011
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 | 2000.0 | nM | 10.1021/np2002226 |