Homophymine A; N2-Deacyl, N2-(3R-hydroxy-2R,4R,6R,8-tetramethylnonanoyl), 7'-amide
AlkaPlorer ID: AK300602
Synonym: Homophymine D1
IUPAC Name: None
Structure
SMILES: COC(C)C1NC(=O)C(CCC(N)=O)N(C)C(=O)C(CC(C)C)NC(=O)C(CCCN)NC(=O)C(CO)NC(=O)C(NC(=O)C(NC(=O)C(O)C(O)C(CCC(N)=O)NC(=O)C(CCCN)NC(=O)C(C)C(O)C(C)CC(C)CC(C)C)C(C)C(C)C(N)=O)C(C(C)C(C)C)OC(=O)C2CCCCN2C(=O)C(CC(=O)O)NC1=O
InChI: InChI=1S/C75H132N16O23/c1-35(2)30-38(7)32-39(8)59(97)43(12)64(101)82-46(20-18-27-76)65(102)81-45(23-25-53(78)93)60(98)61(99)72(109)87-56(41(10)42(11)63(80)100)69(106)89-58-62(40(9)37(5)6)114-75(112)52-22-16-17-29-91(52)74(111)49(33-55(95)96)85-70(107)57(44(13)113-15)88-68(105)51(24-26-54(79)94)90(14)73(110)48(31-36(3)4)84-66(103)47(21-19-28-77)83-67(104)50(34-92)86-71(58)108/h35-52,56-62,92,97-99H,16-34,76-77H2,1-15H3,(H2,78,93)(H2,79,94)(H2,80,100)(H,81,102)(H,82,101)(H,83,104)(H,84,103)(H,85,107)(H,86,108)(H,87,109)(H,88,105)(H,89,106)(H,95,96)
InChIKey: QHOMSNRJHXKTQA-UHFFFAOYSA-N
Reference
CAS: 1193359-08-8
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Homophymia | Neopeltidae | Tetractinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1625.9699999999991
TPSA？: 637.5800000000002
MolLogP？: -4.483299999999966
Number of H-Donors: 19
Number of H-Acceptors: 24
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|