Homophymine A; N2-Deacyl, N2-(3R-hydroxy-2R,4R,6R,8-tetramethylnonanoyl)
AlkaPlorer ID: AK300601
Synonym: Homophymine D
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(=O)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/C75H131N15O24/c1-35(2)30-38(7)32-39(8)59(97)43(12)64(101)81-46(20-18-27-76)65(102)80-45(23-26-54(93)94)60(98)61(99)72(109)86-56(41(10)42(11)63(79)100)69(106)88-58-62(40(9)37(5)6)114-75(112)52-22-16-17-29-90(52)74(111)49(33-55(95)96)84-70(107)57(44(13)113-15)87-68(105)51(24-25-53(78)92)89(14)73(110)48(31-36(3)4)83-66(103)47(21-19-28-77)82-67(104)50(34-91)85-71(58)108/h35-52,56-62,91,97-99H,16-34,76-77H2,1-15H3,(H2,78,92)(H2,79,100)(H,80,102)(H,81,101)(H,82,104)(H,83,103)(H,84,107)(H,85,108)(H,86,109)(H,87,105)(H,88,106)(H,93,94)(H,95,96)
InChIKey: TYRWQKIURCUYSY-UHFFFAOYSA-N
Reference
CAS: 1193359-03-3
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Homophymia | Neopeltidae | Tetractinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1626.9539999999995
TPSA？: 631.7900000000002
MolLogP？: -3.883999999999972
Number of H-Donors: 19
Number of H-Acceptors: 24
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|