Papuamides; Papuamide A
AlkaPlorer ID: AK309356
Synonym: None
IUPAC Name: None
Structure
SMILES: CCC(C)/C=C(C)/C=C\C(O)C(C)(O)C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC1C(=O)NC(COC)C(=O)NCC(=O)NC(C)C(=O)N(C)C(C(C)O)C(=O)NC(C(OC)C2=CC=C(O)C=C2)C(=O)N2CCCCC2C(=O)OC1C(C)C)C(C)C(C)C(N)=O)C(C)N)C(C)O
InChI: InChI=1S/C66H105N13O21/c1-16-32(4)27-33(5)20-25-44(83)66(12,97)65(96)70-29-46(85)73-49(38(10)80)59(90)75-48(36(8)67)58(89)74-47(34(6)35(7)55(68)86)57(88)76-50-53(31(2)3)100-64(95)43-19-17-18-26-79(43)63(94)51(54(99-15)40-21-23-41(82)24-22-40)77-61(92)52(39(11)81)78(13)62(93)37(9)71-45(84)28-69-56(87)42(30-98-14)72-60(50)91/h20-25,27,31-32,34-39,42-44,47-54,80-83,97H,16-19,26,28-30,67H2,1-15H3,(H2,68,86)(H,69,87)(H,70,96)(H,71,84)(H,72,91)(H,73,85)(H,74,89)(H,75,90)(H,76,88)(H,77,92)/b25-20-,33-27+
InChIKey: MKAKHXFSEWECNW-IGFBVORASA-N
Reference
CAS: 240427-03-6
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Theonella swinhoei | Theonella | Theonellidae | Tetractinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
| Theonella mirabilis | Theonella | Theonellidae | Tetractinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1416.6359999999995
TPSA？: 517.54
MolLogP？: -4.3117000000000285
Number of H-Donors: 16
Number of H-Acceptors: 22
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|