methyl (1R,12R,19R)-12-[(1S)-1-(2H-1,3-benzodioxole-5-carbonyloxy)ethyl]-5-methoxy-8,16-diazapentacyclo[10.6.1.0¹,⁹.0²,⁷.0¹⁶,¹⁹]nonadeca-2(7),3,5,9-tetraene-10-carboxylate
AlkaPlorer ID: AK048704
Synonym: None
IUPAC Name: methyl (1R,12R,19R)-12-[(1S)-1-(1,3-benzodioxole-5-carbonyloxy)ethyl]-5-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,9-tetraene-10-carboxylate
Structure
SMILES: COC(=O)C1=C2NC3=CC(OC)=CC=C3[C@@]23CCN2CCC[C@@]([C@H](C)OC(=O)C4=CC=C5OCOC5=C4)(C1)[C@H]23
InChI: InChI=1S/C30H32N2O7/c1-17(39-26(33)18-5-8-23-24(13-18)38-16-37-23)29-9-4-11-32-12-10-30(28(29)32)21-7-6-19(35-2)14-22(21)31-25(30)20(15-29)27(34)36-3/h5-8,13-14,17,28,31H,4,9-12,15-16H2,1-3H3/t17-,28-,29-,30-/m0/s1
InChIKey: XVNFTXKFCVKGFH-YKHDIMOGSA-N
Reference
Monoterpenoid Indole Alkaloids from <i>Alstonia mairei</i>
PubChem CID: 162920739
LOTUS: LTS0004874
SuperNatural Ⅲ: SN0441215-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alstonia mairei | Alstonia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 532.5930000000003
TPSA？: 95.56
MolLogP？: 4.018000000000003
Number of H-Donors: 1
Number of H-Acceptors: 9
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|