Homophymine A
AlkaPlorer ID: AK300597
Synonym: None
IUPAC Name: 7-[[5-amino-1-[[9-(3-amino-3-oxopropyl)-15-(3-aminopropyl)-3-(carboxymethyl)-18-(hydroxymethyl)-6-(1-methoxyethyl)-10-methyl-22-(3-methylbutan-2-yl)-12-(2-methylpropyl)-2,5,8,11,14,17,20,24-octaoxo-23-oxa-1,4,7,10,13,16,19-heptazabicyclo[23.4.0]nonacosan-21-yl]amino]-3,4-dimethyl-1,5-dioxopentan-2-yl]amino]-4-[[5-amino-2-[(3-hydroxy-2,4,6-trimethyloctanoyl)amino]pentanoyl]amino]-5,6-dihydroxy-7-oxoheptanoic acid
Structure
SMILES: CCC(C)CC(C)C(O)C(C)C(=O)NC(CCCN)C(=O)NC(CCC(=O)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/C73H127N15O24/c1-15-36(6)31-37(7)57(95)41(11)62(99)79-44(20-18-27-74)63(100)78-43(23-26-52(91)92)58(96)59(97)70(107)84-54(39(9)40(10)61(77)98)67(104)86-56-60(38(8)35(4)5)112-73(110)50-22-16-17-29-88(50)72(109)47(32-53(93)94)82-68(105)55(42(12)111-14)85-66(103)49(24-25-51(76)90)87(13)71(108)46(30-34(2)3)81-64(101)45(21-19-28-75)80-65(102)48(33-89)83-69(56)106/h34-50,54-60,89,95-97H,15-33,74-75H2,1-14H3,(H2,76,90)(H2,77,98)(H,78,100)(H,79,99)(H,80,102)(H,81,101)(H,82,105)(H,83,106)(H,84,107)(H,85,103)(H,86,104)(H,91,92)(H,93,94)
InChIKey: XUUXWAJRRMHFHD-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Homophymia | Neopeltidae | Tetractinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1598.899999999999
TPSA？: 631.79
MolLogP？: -4.520099999999975
Number of H-Donors: 19
Number of H-Acceptors: 24
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|