Brunonine
AlkaPlorer ID: AK572031
Synonym: None
IUPAC Name: 12-ethoxy-11-methyl-5-methylidene-13-azapentacyclo[9.3.3.24,7.01,10.02,7]nonadec-13-ene-6,8-diol
Structure
SMILES: C=C1C2CCC3(C(O)CC4C5(C)CCCC4(C=NC5OCC)C3C2)C1O
InChI: InChI=1S/C22H33NO3/c1-4-26-19-20(3)7-5-8-21(12-23-19)15(20)11-17(24)22-9-6-14(10-16(21)22)13(2)18(22)25/h12,14-19,24-25H,2,4-11H2,1,3H3
InChIKey: XOHJLHIMWCCTNI-UHFFFAOYSA-N
Reference
Brunonine, a New C20-Diterpenoid Alkaloid
PubChem CID: 73657078
CAS: 137760-60-2
LOTUS: LTS0180735
COCONUT: CNP0426550.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Delphinium brunonianum | Delphinium | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 359.5100000000001
TPSA？: 62.05000000000001
MolLogP？: 3.3242000000000025
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|