Homophymine A; N2-Deacyl, N2-(3R-hydroxy-2R,4R,6R,8R-tetramethyldecanoyl), 7'-amide
AlkaPlorer ID: AK300600
Synonym: Homophymine E1
IUPAC Name: None
Structure
SMILES: CCC(C)CC(C)CC(C)C(O)C(C)C(=O)NC(CCCN)C(=O)NC(CCC(N)=O)C(O)C(O)C(=O)NC(C(=O)NC1C(=O)NC(CO)C(=O)NC(CCCN)C(=O)NC(CC(C)C)C(=O)N(C)C(CCC(N)=O)C(=O)NC(C(C)OC)C(=O)NC(CC(=O)O)C(=O)N2CCCCC2C(=O)OC1C(C)C(C)C)C(C)C(C)C(N)=O
InChI: InChI=1S/C76H134N16O23/c1-16-38(6)32-39(7)33-40(8)60(98)44(12)65(102)83-47(21-19-28-77)66(103)82-46(24-26-54(79)94)61(99)62(100)73(110)88-57(42(10)43(11)64(81)101)70(107)90-59-63(41(9)37(4)5)115-76(113)53-23-17-18-30-92(53)75(112)50(34-56(96)97)86-71(108)58(45(13)114-15)89-69(106)52(25-27-55(80)95)91(14)74(111)49(31-36(2)3)85-67(104)48(22-20-29-78)84-68(105)51(35-93)87-72(59)109/h36-53,57-63,93,98-100H,16-35,77-78H2,1-15H3,(H2,79,94)(H2,80,95)(H2,81,101)(H,82,103)(H,83,102)(H,84,105)(H,85,104)(H,86,108)(H,87,109)(H,88,110)(H,89,106)(H,90,107)(H,96,97)
InChIKey: HQNWJZHVSFIKDV-UHFFFAOYSA-N
Reference
CAS: 1193359-09-9
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Homophymia | Neopeltidae | Tetractinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1639.9969999999996
TPSA？: 637.58
MolLogP？: -4.093199999999967
Number of H-Donors: 19
Number of H-Acceptors: 24
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|