Hemiasterlin
AlkaPlorer ID: AK300112
Synonym: Milnamide B
IUPAC Name: (E)-4-[[3,3-dimethyl-2-[[3-methyl-2-(methylamino)-3-(1-methylindol-3-yl)butanoyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid
Structure
SMILES: CNC(C(=O)NC(C(=O)N(C)C(/C=C(\C)C(=O)O)C(C)C)C(C)(C)C)C(C)(C)C1=CN(C)C2=CC=CC=C12
InChI: InChI=1S/C30H46N4O4/c1-18(2)23(16-19(3)28(37)38)34(11)27(36)25(29(4,5)6)32-26(35)24(31-9)30(7,8)21-17-33(10)22-15-13-12-14-20(21)22/h12-18,23-25,31H,1-11H3,(H,32,35)(H,37,38)/b19-16+
InChIKey: KQODQNJLJQHFQV-KNTRCKAVSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Auletta | Bubaridae | Bubarida | Demospongiae | Porifera | Metazoa | Eukaryota |
| None | Hemiasterella | Hemiasterellidae | Tethyida | Demospongiae | Porifera | Metazoa | Eukaryota |
| None | Cymbastela | Axinellidae | Axinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 526.7220000000003
TPSA？: 103.67000000000002
MolLogP？: 4.088700000000004
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|