Methyl homosecodaphniphyllate
AlkaPlorer ID: AK065290
Synonym: ''
IUPAC Name: methyl 3-[(1S,2R,3R,7R,10S,11R,13S,14S)-1-methyl-14-propan-2-yl-12-azapentacyclo[8.6.0.02,13.03,7.07,11]hexadecan-2-yl]propanoate
Structure
SMILES: COC(=O)CC[C@]12[C@@H]3CCC[C@@]34CC[C@@H]3[C@H]4N[C@H]1[C@H](C(C)C)CC[C@@]32C
InChI: InChI=1S/C23H37NO2/c1-14(2)15-7-11-21(3)16-8-12-22-10-5-6-17(22)23(21,13-9-18(25)26-4)19(15)24-20(16)22/h14-17,19-20,24H,5-13H2,1-4H3/t15-,16+,17+,19-,20+,21-,22+,23-/m0/s1
InChIKey: MGLLZMAVACXEQY-IJDQBLKJSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Daphniphyllum oldhamii | Daphniphyllum | Daphniphyllaceae | Saxifragales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 359.55400000000014
TPSA？: 38.33
MolLogP？: 4.548800000000004
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|