Calyciphylline O
AlkaPlorer ID: AK103177
Synonym: 'calyciphylline O', '(-)-Calyciphylline O'
IUPAC Name: methyl 3-[(1S,2R,3R,7R,9S,10S,11R,13S,14R)-9-hydroxy-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@@]34C[C@H](O)[C@@H]3[C@H]4N[C@H]1[C@@H](C(C)C)CC[C@@]32C
InChI: InChI=1S/C23H37NO3/c1-13(2)14-7-10-21(3)18-15(25)12-22-9-5-6-16(22)23(21,11-8-17(26)27-4)19(14)24-20(18)22/h13-16,18-20,24-25H,5-12H2,1-4H3/t14-,15+,16-,18-,19+,20-,21+,22-,23+/m1/s1
InChIKey: SCMNGYBPXCTRJK-ZXHQAILYSA-N
Reference
Calyciphyllines N−P, Alkaloids from <i>Daphniphyllum calycinum</i>
PubChem CID: 25209368
LOTUS: LTS0086512
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Daphniphyllum calycinum | Daphniphyllum | Daphniphyllaceae | Saxifragales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 375.55300000000017
TPSA？: 58.56
MolLogP？: 3.5196000000000023
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|