Haplotubinone
AlkaPlorer ID: AK057422
Synonym: '', 'haplotubinone'
IUPAC Name: (3R,3'S)-3'-[(3R)-2-hydroxy-2,6-dimethylhept-5-en-3-yl]spiro[1H-quinoline-3,2'-oxirane]-2,4-dione
Structure
SMILES: CC(C)=CC[C@H]([C@@H]1O[C@@]12C(=O)C1=CC=CC=C1N=C2O)C(C)(C)O
InChI: InChI=1S/C19H23NO4/c1-11(2)9-10-13(18(3,4)23)16-19(24-16)15(21)12-7-5-6-8-14(12)20-17(19)22/h5-9,13,16,23H,10H2,1-4H3,(H,20,22)/t13-,16+,19+/m1/s1
InChIKey: LTWXDPJSMIXKPV-AZOIQLNYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Haplophyllum tuberculatum | Haplophyllum | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 329.3960000000001
TPSA？: 82.42
MolLogP？: 3.351900000000002
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|