3,9-dihydroxy-5-methyl-12-methylidene-7-azahexacyclo[9.6.2.0¹,?.0?,¹?.0?,¹?.0¹?,¹?]nonadecan-10-yl acetate
AlkaPlorer ID: AK021597
Synonym: None
IUPAC Name: (3,9-dihydroxy-5-methyl-12-methylidene-7-azahexacyclo[9.6.2.01,8.05,17.09,14.014,18]nonadecan-10-yl) acetate
Structure
SMILES: C=C1CC23CCC4C5(C)CNC6C4(CC(O)C5)C2CC1C(OC(C)=O)C63O
InChI: InChI=1S/C22H31NO4/c1-11-7-20-5-4-15-19(3)8-13(25)9-21(15)16(20)6-14(11)17(27-12(2)24)22(20,26)18(21)23-10-19/h13-18,23,25-26H,1,4-10H2,2-3H3
InChIKey: OPNGEQUNGVUEMX-UHFFFAOYSA-N
Reference
Norditerpenoid alkaloids from Delphinium peregrinum var. elongatum
PubChem CID: 163060879
LOTUS: LTS0156477
COCONUT: CNP0350455
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Delphinium macrocentrum | Delphinium | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 373.49300000000017
TPSA？: 78.78999999999999
MolLogP？: 1.7744
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|