(1R,5R,8R,9S,10R,11S,14S,16S,17R,18S)-10-hydroxy-5-methyl-12-methylidene-3-oxo-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecan-18-yl acetate
AlkaPlorer ID: AK481024
Synonym: None
IUPAC Name: (10-hydroxy-5-methyl-12-methylidene-3-oxo-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-18-yl) acetate
Structure
SMILES: C=C1CC23CC4C5C6(C)CC(=O)CC57C(C2C(O)C1CC37OC(C)=O)N4C6
InChI: InChI=1S/C22H27NO4/c1-10-4-20-8-14-17-19(3)5-12(25)6-21(17)18(23(14)9-19)15(20)16(26)13(10)7-22(20,21)27-11(2)24/h13-18,26H,1,4-9H2,2-3H3
InChIKey: OPSQHQOWJPAFNK-UHFFFAOYSA-N
Reference
Diterpene alkaloids from Delphinium fissum subsp. Anatolicum
PubChem CID: 162870737
CAS: 152606-54-7
LOTUS: LTS0212451
COCONUT: CNP0135256.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Delphinium fissum | Delphinium | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 369.4610000000002
TPSA？: 66.84
MolLogP？: 1.6871
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|