UNPD120044
AlkaPlorer ID: AK400196
Synonym: None
IUPAC Name: [(1R,11S,12E,17S)-12-ethylidene-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraen-10-yl] acetate
Structure
SMILES: C/C=C1/CN2CC[C@]34C(=C(OC(C)=O)[C@H]1C[C@H]23)NC1=CC=CC=C14
InChI: InChI=1S/C20H22N2O2/c1-3-13-11-22-9-8-20-15-6-4-5-7-16(15)21-19(20)18(24-12(2)23)14(13)10-17(20)22/h3-7,14,17,21H,8-11H2,1-2H3/b13-3-/t14-,17-,20+/m0/s1
InChIKey: HKKCLUALMIXSKS-RNKBHXODSA-N
Reference
Alkaloids of Hunteria zeylanica
PubChem CID: 163186406
LOTUS: LTS0252885
SuperNatural Ⅲ: SN0128045-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hunteria congolana | Hunteria | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 322.408
TPSA？: 41.57
MolLogP？: 3.178700000000001
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|