(1S,5S,11S,12S,14R,16R,17S,18S,20R,21R)-5-methyl-15-methylidene-10-oxa-7-azaheptacyclo[12.6.2.0¹,¹¹.0⁵,²⁰.0⁷,¹¹.0¹²,¹⁷.0¹⁷,²¹]docosane-16,18-diol
AlkaPlorer ID: AK475216
Synonym: None
IUPAC Name: 5-methyl-15-methylidene-10-oxa-7-azaheptacyclo[12.6.2.01,11.05,20.07,11.012,17.017,21]docosane-16,18-diol
Structure
SMILES: C=C1C2CC3C4(C(O)CC5C6(C)CCCC53C3(OCCN3C6)C4C2)C1O
InChI: InChI=1S/C22H31NO3/c1-12-13-8-15-20-5-3-4-19(2)11-23-6-7-26-22(20,23)16(9-13)21(15,18(12)25)17(24)10-14(19)20/h13-18,24-25H,1,3-11H2,2H3
InChIKey: OCCJVDAKNZNROD-UHFFFAOYSA-N
Reference
Diterpenoid alkaloids of Delphinium schmalhausenii
PubChem CID: 73657602
CAS: 156400-93-0
LOTUS: LTS0161776
COCONUT: CNP0258511.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum septentrionale | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 357.4940000000001
TPSA？: 52.93000000000001
MolLogP？: 2.1590000000000003
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|