aplaminal
AlkaPlorer ID: AK024840
Synonym: 'MLS002280495', 'MLS002280494', 'SMR001318315', 'SMR001318314'
IUPAC Name: methyl (1R,5S)-6-(4-methoxycarbonylphenyl)-8-methyl-4-oxo-3,6,8-triazabicyclo[3.2.1]octane-5-carboxylate
Structure
SMILES: COC(=O)C1=CC=C(N2C[C@H]3CN=C(O)[C@]2(C(=O)OC)N3C)C=C1
InChI: InChI=1S/C16H19N3O5/c1-18-12-8-17-14(21)16(18,15(22)24-3)19(9-12)11-6-4-10(5-7-11)13(20)23-2/h4-7,12H,8-9H2,1-3H3,(H,17,21)/t12-,16+/m1/s1
InChIKey: KSNSGYBJVDSZCB-WBMJQRKESA-N
Reference
Aplaminal: A Novel Cytotoxic Aminal Isolated from the Sea Hare <i>Aplysia kurodai</i>
PubChem CID: 24777200
LOTUS: LTS0150602
SuperNatural Ⅲ: SN0194266-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aplysia kurodai | Aplysia | Aplysiidae | Aplysiida | Gastropoda | Mollusca | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 333.34400000000005
TPSA？: 91.67
MolLogP？: 0.4330000000000003
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|