Daphnioldhanin I
AlkaPlorer ID: AK083622
Synonym: '', 'daphnioldhanine I'
IUPAC Name: [(1S,2S,5S,8S)-1,5-dimethyl-8-[2-[(1S,2R,3R,7R,10S,11R,14R)-1-methyl-14-propan-2-yl-12-azapentacyclo[8.6.0.02,13.03,7.07,11]hexadec-12-en-2-yl]ethyl]-7-oxo-6-oxabicyclo[3.2.1]octan-2-yl] acetate
Structure
SMILES: CC(=O)O[C@H]1CC[C@]2(C)OC(=O)[C@@]1(C)[C@@H]2CC[C@@]12C3=N[C@@H]4[C@@H](CC[C@@]45CCC[C@H]51)[C@]2(C)CC[C@@H]3C(C)C
InChI: InChI=1S/C32H47NO4/c1-18(2)20-9-14-28(4)21-10-16-31-13-7-8-23(31)32(28,25(20)33-26(21)31)17-11-22-29(5)15-12-24(36-19(3)34)30(22,6)27(35)37-29/h18,20-24,26H,7-17H2,1-6H3/t20-,21-,22-,23-,24+,26-,28+,29+,30+,31-,32+/m1/s1
InChIKey: GVRZVXAZUMNJAE-YPQMBMBUSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Daphniphyllum oldhamii | Daphniphyllum | Daphniphyllaceae | Saxifragales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 509.7310000000005
TPSA？: 64.96000000000001
MolLogP？: 6.522100000000008
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|