methyl (1R,12R,19R)-12-[(1S)-1-(2H-1,3-benzodioxole-5-carbonyloxy)ethyl]-5-hydroxy-8,16-diazapentacyclo[10.6.1.0¹,⁹.0²,⁷.0¹⁶,¹⁹]nonadeca-2(7),3,5,9-tetraene-10-carboxylate
AlkaPlorer ID: AK251925
Synonym: None
IUPAC Name: methyl (1R,12R,19R)-12-[(1S)-1-(1,3-benzodioxole-5-carbonyloxy)ethyl]-5-hydroxy-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(O)=CC=C3[C@@]23CCN2CCC[C@@]([C@H](C)OC(=O)C4=CC=C5OCOC5=C4)(C1)[C@H]23
InChI: InChI=1S/C29H30N2O7/c1-16(38-25(33)17-4-7-22-23(12-17)37-15-36-22)28-8-3-10-31-11-9-29(27(28)31)20-6-5-18(32)13-21(20)30-24(29)19(14-28)26(34)35-2/h4-7,12-13,16,27,30,32H,3,8-11,14-15H2,1-2H3/t16-,27-,28-,29-/m0/s1
InChIKey: DNPVNKPHDISMHN-UFSSTVADSA-N
Reference
Monoterpenoid Indole Alkaloids from <i>Alstonia mairei</i>
PubChem CID: 162984395
LOTUS: LTS0068590
SuperNatural Ⅲ: SN0070527-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alstonia mairei | Alstonia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 518.5660000000005
TPSA？: 106.56
MolLogP？: 3.7150000000000025
Number of H-Donors: 2
Number of H-Acceptors: 9
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|