Stellatolides; Stellatolide A, Hydroxyacid
AlkaPlorer ID: AK314303
Synonym: Stellatolide C
IUPAC Name: None
Structure
SMILES: COCC(NC(=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)O)C(=O)NCC(=O)NC(CC(C)C)C(=O)N(C)C(CCC(N)=O)C(=O)NC(C(=O)N(C)C(C)C(=O)O)C(OC)C1=CC=C(O)C=C1
InChI: InChI=1S/C66H109N15O23/c1-29(2)24-31(5)16-19-40(85)26-45(87)74-51(53(89)56(70)91)63(98)78-50(37(11)83)62(97)76-48(34(8)67)60(95)75-47(32(6)33(7)55(69)90)59(94)77-49(36(10)82)61(96)73-42(28-103-14)57(92)71-27-46(88)72-41(25-30(3)4)64(99)81(13)43(22-23-44(68)86)58(93)79-52(65(100)80(12)35(9)66(101)102)54(104-15)38-17-20-39(84)21-18-38/h16-21,29-37,40-43,47-54,82-85,89H,22-28,67H2,1-15H3,(H2,68,86)(H2,69,90)(H2,70,91)(H,71,92)(H,72,88)(H,73,96)(H,74,87)(H,75,95)(H,76,97)(H,77,94)(H,78,98)(H,79,93)(H,101,102)/b19-16-
InChIKey: CXEDTXXWAFPNQF-MNDPQUGUSA-N
Reference
CAS: 1608456-79-6
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ecionemia acervus | Ecionemia | Ancorinidae | Tetractinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1480.6799999999998
TPSA？: 614.72
MolLogP？: -6.507299999999995
Number of H-Donors: 19
Number of H-Acceptors: 23
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|