Dehydrodaphnigraciline
AlkaPlorer ID: AK077704
Synonym: '', 'dehydrodaphnigraciline'
IUPAC Name: methyl (1'S,3R,5'S,11'R,12'S)-6-ethyl-3'-methylspiro[2,4-dihydropyran-3,15'-3-azatetracyclo[6.5.1.11,5.011,14]pentadec-8(14)-ene]-12'-carboxylate
Structure
SMILES: CCC1=CC[C@@]2(CO1)[C@@H]1CCC3=C4[C@H](CC3)[C@@H](C(=O)OC)C[C@]42CN(C)C1
InChI: InChI=1S/C23H33NO3/c1-4-17-9-10-22(14-27-17)16-7-5-15-6-8-18-19(21(25)26-3)11-23(22,20(15)18)13-24(2)12-16/h9,16,18-19H,4-8,10-14H2,1-3H3/t16-,18-,19+,22-,23+/m1/s1
InChIKey: ONAGOPFNNJDPCW-VRICWTJBSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Daphniphyllum oldhamii | Daphniphyllum | Daphniphyllaceae | Saxifragales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 371.5210000000002
TPSA？: 38.77
MolLogP？: 3.928300000000003
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|