Phyto4Health

R-(-)-Actinodaphnine

Representations & DB's id
ChEBI: CHEBI:70638
ChEMBL: CHEMBL1588263
PubChem: 11957301
IUPAC: (12R)-17-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaen-16-ol
Standard InChI: InChI=1S/C18H17NO4/c1-21-14-7-11-10(5-13(14)20)4-12-16-9(2-3-19-12)6-15-18(17(11)16)23-8-22-15/h5-7,12,19-20H,2-4,8H2,1H3/t12-/m1/s1
Standard InChI Key: VYJUHRAQPIBWNV-GFCCVEGCSA-N
SMILES: COc1cc2c(cc1O)C[C@@H]1c3c2c2OCOc2cc3CCN1

Molecular propeties
AlogP: 2.54
Hydrogen bonds acceptors: 5
Hydrogen bonds donors: 2
Rotatable bonds: 1
Number of rings: 5
Molecular Weight: 311.12
Topological polar surface area: 60
Number of aromatic rings: 2
Fsp3: 0.333
Number of carbons: 18

Plant sources

Part of plant Plant name Ref.
PlantLaurus nobilis
PlantLaurus nobilis

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Potency11220.2 nMPrelamin-A/CP02545
Potency14125.4 nMLysine-specific demethylase 4D-likeB2RXH2
Potency35481.3 nMHuntingtinP42858
Potency50118.7 nMHistone-lysine N-methyltransferase MLLQ03164
Potency56.2 nMSurvival motor neuron proteinQ16637
Potency14125.4 nMMicrotubule-associated protein tauP10636
Potency35481.3 nMAldehyde dehydrogenase 1A1P00352
Potency35481.3 nMLethal(3)malignant brain tumor-like protein 1Q9Y468
IC505612.2 nMInduced myeloid leukemia cell differentiation protein Mcl-1Q07820
Potency25118.9 nM15-hydroxyprostaglandin dehydrogenase [NAD+]P15428
Potency39810.7 nMDNA polymerase betaP06746
Potency22387.2 nMLysine-specific demethylase 4AO75164
Potency89125.1 nMHistone-lysine N-methyltransferase, H3 lysine-9 specific 3Q96KQ7
Potency22387.2 nMBromodomain adjacent to zinc finger domain protein 2BQ9UIF8
Potency14581 nMATPase family AAA domain-containing protein 5Q96QE3
Potency18356.4 nMGemininO75496
Potency18356.4 nMGemininO75496
Potency19952.6 nMAtaxin-2Q99700
Potency10000 nMGlucagon-like peptide 1 receptorP43220
Potency19952.6 nMWerner syndrome ATP-dependent helicaseQ14191