methyl (1R,12S,19S)-12-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: AK036605
Synonym: None
IUPAC Name: methyl (1R,12S,19S)-12-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: CC[C@]12CCCN3CC[C@]4(C(=C(C(=O)OC)C1)NC1=CC(O)=CC=C14)[C@@H]32
InChI: InChI=1S/C21H26N2O3/c1-3-20-7-4-9-23-10-8-21(19(20)23)15-6-5-13(24)11-16(15)22-17(21)14(12-20)18(25)26-2/h5-6,11,19,22,24H,3-4,7-10,12H2,1-2H3/t19-,20-,21-/m0/s1
InChIKey: TXNBTVSTYBKLBO-ACRUOGEOSA-N
Reference
Alkaloids from Melodinus hemsleyanus
PubChem CID: 162669518
LOTUS: LTS0271691
SuperNatural Ⅲ: SN0362713-01
NPASS: NPC128948
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 354.45000000000005
TPSA？: 61.8
MolLogP？: 3.150800000000001
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Rattus norvegicus | Aortic artery | EC50 | 10000.0 | nM | 10.1021/acs.jnatprod.9b00925 |