Zeraconine
AlkaPlorer ID: AK394101
Synonym: None
IUPAC Name: N,N-dimethyl-2-[4-[(5-methyl-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadec-12-en-12-yl)methoxy]phenyl]ethanamine
Structure
SMILES: CN(C)CCC1=CC=C(OCC2=CC34CC5C6C7(C)CCCC68C(C3CC2CC48)N5C7)C=C1
InChI: InChI=1S/C30H40N2O/c1-28-10-4-11-30-25-14-20-13-23-27(30)32(18-28)24(26(28)30)16-29(23,25)15-21(20)17-33-22-7-5-19(6-8-22)9-12-31(2)3/h5-8,15,20,23-27H,4,9-14,16-18H2,1-3H3
InChIKey: GWMRACWLCOWLPK-UHFFFAOYSA-N
Reference
Structure of the new diterpene alkaloid zeraconine and its N-oxide
PubChem CID: 13892203
CAS: 111313-35-0
LOTUS: LTS0050210
COCONUT: CNP0424488.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum seravschanicum | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 444.6630000000002
TPSA？: 15.71
MolLogP？: 5.0148000000000055
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|