Homophymine A; N2-Deacyl, N2-(3R-hydroxy-2R,4R,6-trimethylheptanoyl)
AlkaPlorer ID: AK300603
Synonym: Homophymine B
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)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/C72H125N15O24/c1-33(2)29-36(7)56(94)40(11)61(98)78-43(19-17-26-73)62(99)77-42(22-25-51(90)91)57(95)58(96)69(106)83-53(38(9)39(10)60(76)97)66(103)85-55-59(37(8)35(5)6)111-72(109)49-21-15-16-28-87(49)71(108)46(31-52(92)93)81-67(104)54(41(12)110-14)84-65(102)48(23-24-50(75)89)86(13)70(107)45(30-34(3)4)80-63(100)44(20-18-27-74)79-64(101)47(32-88)82-68(55)105/h33-49,53-59,88,94-96H,15-32,73-74H2,1-14H3,(H2,75,89)(H2,76,97)(H,77,99)(H,78,98)(H,79,101)(H,80,100)(H,81,104)(H,82,105)(H,83,106)(H,84,102)(H,85,103)(H,90,91)(H,92,93)
InChIKey: SMDBKYNXPYRAGK-UHFFFAOYSA-N
Reference
CAS: 1193359-01-1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Homophymia | Neopeltidae | Tetractinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1584.8729999999996
TPSA？: 631.7900000000002
MolLogP？: -4.910199999999972
Number of H-Donors: 19
Number of H-Acceptors: 24
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|