(3aR,6S,7aS)-3a-(3,4-dimethoxyphenyl)-1-methyl-3,6,7,7a-tetrahydro-2H-indol-6-yl acetate
AlkaPlorer ID: AK199145
Synonym: None
IUPAC Name: [(3aR,6S,7aS)-3a-(3,4-dimethoxyphenyl)-1-methyl-3,6,7,7a-tetrahydro-2H-indol-6-yl] acetate
Structure
SMILES: COC1=CC=C([C@@]23C=C[C@@H](OC(C)=O)C[C@@H]2N(C)CC3)C=C1OC
InChI: InChI=1S/C19H25NO4/c1-13(21)24-15-7-8-19(9-10-20(2)18(19)12-15)14-5-6-16(22-3)17(11-14)23-4/h5-8,11,15,18H,9-10,12H2,1-4H3/t15-,18+,19+/m1/s1
InChIKey: WHOJRLJBHMLZLA-MNEFBYGVSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Piper trichostachyon | Piper | Piperaceae | Piperales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Gracilaria asiatica | Gracilaria | Gracilariaceae | Gracilariales | Florideophyceae | Rhodophyta | None | Eukaryota |
| Flavobacterium johnsoniae | Flavobacterium | Flavobacteriaceae | Flavobacteriales | Flavobacteriia | Bacteroidota | None | Bacteria |
Properties Information
Molecule Weight: 331.4120000000001
TPSA？: 48.0
MolLogP？: 2.537300000000001
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|