UNPD165651
AlkaPlorer ID: AK038161
Synonym: None
IUPAC Name: 1-[(1R,9R,11R,17R,18E)-18-ethylidene-6-methoxy-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2(7),3,5-trien-8-yl]ethanone
Structure
SMILES: C/C=C1\[C@@H]2CCN3CC[C@]4(C5=C(C(OC)=CC=C5)N(C(C)=O)[C@@H]4C2)[C@@H]13
InChI: InChI=1S/C21H26N2O2/c1-4-15-14-8-10-22-11-9-21(20(15)22)16-6-5-7-17(25-3)19(16)23(13(2)24)18(21)12-14/h4-7,14,18,20H,8-12H2,1-3H3/b15-4+/t14-,18-,20-,21-/m1/s1
InChIKey: CCNTUVFHVFQEJI-ULBRXFQASA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Vallesia glabra | Vallesia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 338.45100000000014
TPSA？: 32.78
MolLogP？: 3.112300000000002
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|