methyl (1R,2S,6S,15S,16R)-18-hydroxy-11-(2-hydroxyethyl)-2,15-dimethyl-9-oxo-4-azapentacyclo[11.4.1.0⁴,¹⁶.0⁶,¹⁵.0¹⁰,¹⁴]octadeca-10(14),11,13(18)-triene-12-carboxylate
AlkaPlorer ID: AK017507
Synonym: None
IUPAC Name: methyl (1R,2S,6S,15S,16R)-18-hydroxy-11-(2-hydroxyethyl)-2,15-dimethyl-9-oxo-4-azapentacyclo[11.4.1.04,16.06,15.010,14]octadeca-10(14),11,13(18)-triene-12-carboxylate
Structure
SMILES: COC(=O)C1=C(CCO)C2=C3C1=C(O)[C@@H]1C[C@H]4N(C[C@@H](CCC2=O)[C@@]34C)C[C@H]1C
InChI: InChI=1S/C23H29NO5/c1-11-9-24-10-12-4-5-15(26)17-13(6-7-25)18(22(28)29-3)19-20(17)23(12,2)16(24)8-14(11)21(19)27/h11-12,14,16,25,27H,4-10H2,1-3H3/t11-,12-,14-,16-,23-/m1/s1
InChIKey: VNGVJVLIJHNWFZ-UHCAAFETSA-N
Reference
Daphnicyclidins A−H, Novel Hexa- or Pentacyclic Alkaloids from Two Species of <i>Daphniphyllum</i>
PubChem CID: 54693554
LOTUS: LTS0081575
SuperNatural Ⅲ: SN0394874-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Daphniphyllum macropodum | Daphniphyllum | Daphniphyllaceae | Saxifragales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 399.4870000000003
TPSA？: 87.07
MolLogP？: 2.2999
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|