methyl (1R,3aS,4R,7aR)-1-[(dimethylamino)methyl]-3a-hydroxy-5-isopropyl-7a-methyl-7-oxo-1,2,3,4-tetrahydroindene-4-carboxylate
AlkaPlorer ID: AK270292
Synonym: None
IUPAC Name: methyl (1R,3aS,4R,7aR)-1-[(dimethylamino)methyl]-3a-hydroxy-7a-methyl-7-oxo-5-propan-2-yl-1,2,3,4-tetrahydroindene-4-carboxylate
Structure
SMILES: COC(=O)[C@@H]1C(C(C)C)=CC(=O)[C@]2(C)[C@H](CN(C)C)CC[C@]12O
InChI: InChI=1S/C18H29NO4/c1-11(2)13-9-14(20)17(3)12(10-19(4)5)7-8-18(17,22)15(13)16(21)23-6/h9,11-12,15,22H,7-8,10H2,1-6H3/t12-,15-,17-,18-/m0/s1
InChIKey: RQTCBECAUUINSD-FRJURHEUSA-N
Reference
Moniline, A New Alkaloid from <i>Dendrobium moniliforme</i>
PubChem CID: 163029142
LOTUS: LTS0191524
SuperNatural Ⅲ: SN0332692-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Dendrobium moniliforme | Dendrobium | Orchidaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 323.4330000000001
TPSA？: 66.84
MolLogP？: 1.6496999999999995
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|