UNPD132914
AlkaPlorer ID: AK391862
Synonym: None
IUPAC Name: methyl 13-ethylidene-18-hydroxy-5-methoxy-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2(7),3,5-triene-17-carboxylate
Structure
SMILES: CC=C1CN2C3CC1C1(C(=O)OC)C2CC2(C4=CC=C(OC)C=C4N(C)C32)C1O
InChI: InChI=1S/C23H28N2O4/c1-5-12-11-25-17-9-15(12)23(21(27)29-4)18(25)10-22(20(23)26)14-7-6-13(28-3)8-16(14)24(2)19(17)22/h5-8,15,17-20,26H,9-11H2,1-4H3
InChIKey: GRDLACGKAXVGGV-UHFFFAOYSA-N
Reference
Alkaloids from stem-bark ofTonduzia pittieri
PubChem CID: 162975422
CAS: 132268-03-2
LOTUS: LTS0081766
COCONUT: CNP0247246.3
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tonduzia longifolia | Tonduzia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 396.4870000000001
TPSA？: 62.24000000000001
MolLogP？: 1.708
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|