Minutissamide D
AlkaPlorer ID: AK012703
Synonym: None
IUPAC Name: 2-[(3S,6S,9R,12S,15E,18S,21E,24S,27R,28R,31S)-3,18-bis(2-amino-2-oxoethyl)-15,21-di(ethylidene)-27-hydroxy-6-[(1R)-1-hydroxyethyl]-28-[(2S)-12-hydroxytetradecan-2-yl]-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)CCCCCCCCCC(O)CC)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/C55H91N13O16/c1-10-32(70)22-19-17-15-13-14-16-18-21-29(6)43-45(74)53(82)64-42(28(4)5)52(81)61-34(12-3)48(77)63-36(26-40(57)72)50(79)60-33(11-2)47(76)62-35(25-39(56)71)49(78)59-30(7)46(75)66-44(31(8)69)55(84)67(9)38(27-41(58)73)54(83)68-24-20-23-37(68)51(80)65-43/h11-12,28-32,35-38,42-45,69-70,74H,10,13-27H2,1-9H3,(H2,56,71)(H2,57,72)(H2,58,73)(H,59,78)(H,60,79)(H,61,81)(H,62,76)(H,63,77)(H,64,82)(H,65,80)(H,66,75)/b33-11+,34-12+/t29-,30+,31+,32?,35-,36-,37-,38-,42-,43+,44-,45+/m0/s1
InChIKey: QBOXPOZQNMGPJN-MVNQSCNZSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Anabaena minutissima | Anabaena | Nostocaceae | Nostocales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 1190.408
TPSA？: 494.27000000000015
MolLogP？: 6.600810000000012
Number of H-Donors: 17
Number of H-Acceptors: 16
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HT-29 | IC50 | 22700.0 | nM | 10.1021/np2002226 |