Caldaphnidine R
AlkaPlorer ID: AK037694
Synonym: '(-)-Caldaphnidine R', 'caldaphnidine R'
IUPAC Name: methyl 3-[(2S,7S,10R,11R,12R,15S,16R,18R)-11-hydroxy-11,16-dimethyl-1-azapentacyclo[10.5.1.02,10.03,7.015,18]octadec-3-en-12-yl]propanoate
Structure
SMILES: COC(=O)CC[C@@]12CC[C@H]3[C@@H](C)CN([C@@H]4C5=CCC[C@H]5CC[C@H]4[C@@]1(C)O)[C@H]32
InChI: InChI=1S/C23H35NO3/c1-14-13-24-20-17-6-4-5-15(17)7-8-18(20)22(2,26)23(12-10-19(25)27-3)11-9-16(14)21(23)24/h6,14-16,18,20-21,26H,4-5,7-13H2,1-3H3/t14-,15-,16-,18+,20+,21+,22+,23+/m0/s1
InChIKey: INHPFJZKEVOOKI-ZHGNHHAWSA-N
Reference
Alkaloids from the Twigs of <i>Daphniphyllum calycinum</i>
PubChem CID: 162940019
LOTUS: LTS0012405
SuperNatural Ⅲ: SN0150157-04
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Daphniphyllum calycinum | Daphniphyllum | Daphniphyllaceae | Saxifragales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 373.5370000000002
TPSA？: 49.77
MolLogP？: 3.5359000000000025
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|