12-Methoxytubotaiwine
AlkaPlorer ID: AK055983
Synonym: ''
IUPAC Name: methyl (1S,11S,17R,18S)-18-ethyl-6-methoxy-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2(7),3,5,9-tetraene-10-carboxylate
Structure
SMILES: CC[C@H]1[C@@H]2CCN3CC[C@@]4(C(=C2C(=O)OC)NC2=C(OC)C=CC=C24)[C@@H]13
InChI: InChI=1S/C21H26N2O3/c1-4-12-13-8-10-23-11-9-21(19(12)23)14-6-5-7-15(25-2)17(14)22-18(21)16(13)20(24)26-3/h5-7,12-13,19,22H,4,8-11H2,1-3H3/t12-,13-,19+,21+/m0/s1
InChIKey: WBKBNNAWNPDPHB-ZPYPVQIUSA-N
Reference
Alkaloids from Alstonia congensis
PubChem CID: 14286084
LOTUS: LTS0052237
SuperNatural Ⅲ: SN0405778-03
NPASS: NPC56294
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Plumbago indica | Plumbago | Plumbaginaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 354.4500000000001
TPSA？: 50.8
MolLogP？: 2.9196000000000017
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|