Daphniphylline
AlkaPlorer ID: AK028392
Synonym: 'Daphniphylline', '(+)-Daphniphylline'
IUPAC Name: [(2R)-1-[(1R,4R,5S)-1,4-dimethyl-2,8-dioxabicyclo[3.2.1]octan-4-yl]-3-[(1S,2R,3S,7R,10S,13S,14R)-1-methyl-14-propan-2-yl-12-azapentacyclo[8.6.0.02,13.03,7.07,12]hexadecan-2-yl]-1-oxopropan-2-yl] acetate
Structure
SMILES: CC(=O)O[C@H](C[C@]12[C@@H]3[C@@H](C(C)C)CC[C@@]1(C)[C@@H]1CC[C@@]4(CCC[C@H]42)N3C1)C(=O)[C@]1(C)CO[C@@]2(C)CC[C@@H]1O2
InChI: InChI=1S/C32H49NO5/c1-19(2)22-10-13-29(5)21-9-15-31-12-7-8-24(31)32(29,26(22)33(31)17-21)16-23(37-20(3)34)27(35)28(4)18-36-30(6)14-11-25(28)38-30/h19,21-26H,7-18H2,1-6H3/t21-,22-,23-,24-,25+,26+,28-,29+,30-,31-,32+/m1/s1
InChIKey: LFLWRPZTBUUBEQ-IXHADGFVSA-N
Reference
Alkaloids from <i>Daphniphyllum</i> <i>l</i><i>ongeracemosum</i>
PubChem CID: 154496438
LOTUS: LTS0270935
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Daphniphyllum laurinum | Daphniphyllum | Daphniphyllaceae | Saxifragales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 527.7460000000004
TPSA？: 65.07000000000001
MolLogP？: 5.514400000000006
Number of H-Donors: 0
Number of H-Acceptors: 6
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|