Stellatolides; Stellatolide A
AlkaPlorer ID: AK314302
Synonym: None
IUPAC Name: 4-[[3-amino-2-[[2-[[4-amino-3-hydroxy-2-[[(Z)-3-hydroxy-6,8-dimethylnon-4-enoyl]amino]-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]butanoyl]amino]-N'-[9-(3-amino-3-oxopropyl)-6-[(4-hydroxyphenyl)-methoxymethyl]-18-(methoxymethyl)-3,4,10,22-tetramethyl-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1-oxa-4,7,10,13,16,19-hexazacyclodocos-21-yl]-2,3-dimethylpentanediamide
Structure
SMILES: COCC1NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CC(O)/C=C\C(C)CC(C)C)C(O)C(N)=O)C(C)O)C(C)N)C(C)C(C)C(N)=O)C(C)OC(=O)C(C)N(C)C(=O)C(C(OC)C2=CC=C(O)C=C2)NC(=O)C(CCC(N)=O)N(C)C(=O)C(CC(C)C)NC(=O)CNC1=O
InChI: InChI=1S/C66H107N15O22/c1-29(2)24-31(5)16-19-40(84)26-45(86)74-51(53(88)56(70)90)63(97)77-49(36(10)82)61(95)76-48(34(8)67)60(94)75-47(32(6)33(7)55(69)89)59(93)78-50-37(11)103-66(100)35(9)80(12)65(99)52(54(102-15)38-17-20-39(83)21-18-38)79-58(92)43(22-23-44(68)85)81(13)64(98)41(25-30(3)4)72-46(87)27-71-57(91)42(28-101-14)73-62(50)96/h16-21,29-37,40-43,47-54,82-84,88H,22-28,67H2,1-15H3,(H2,68,85)(H2,69,89)(H2,70,90)(H,71,91)(H,72,87)(H,73,96)(H,74,86)(H,75,94)(H,76,95)(H,77,97)(H,78,93)(H,79,92)/b19-16-
InChIKey: SBFZHGHHWFEHGR-MNDPQUGUSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ecionemia acervus | Ecionemia | Ancorinidae | Tetractinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1462.6650000000002
TPSA？: 583.49
MolLogP？: -6.027400000000008
Number of H-Donors: 17
Number of H-Acceptors: 23
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|