(1S,2R,4S,6R,11S,12S)-11-(benzoyloxy)-12-[(benzoyloxy)methyl]-4,9-dimethyl-15-(propan-2-ylidene)-5-oxatricyclo[10.3.0.0⁴,⁶]pentadec-9-en-2-yl pyridine-3-carboxylate
AlkaPlorer ID: AK339942
Synonym: None
IUPAC Name: [(1S,2R,4S,6R,9E,11S,12S)-11-benzoyloxy-12-(benzoyloxymethyl)-4,9-dimethyl-15-propan-2-ylidene-5-oxatricyclo[10.3.0.04,6]pentadec-9-en-2-yl] pyridine-3-carboxylate
Structure
SMILES: CC(C)=C1CC[C@]2(COC(=O)C3=CC=CC=C3)[C@@H](OC(=O)C3=CC=CC=C3)/C=C(\C)CC[C@H]3O[C@@]3(C)C[C@@H](OC(=O)C3=CC=CN=C3)[C@@H]12
InChI: InChI=1S/C40H43NO7/c1-26(2)31-19-20-40(25-45-36(42)28-12-7-5-8-13-28)34(47-37(43)29-14-9-6-10-15-29)22-27(3)17-18-33-39(4,48-33)23-32(35(31)40)46-38(44)30-16-11-21-41-24-30/h5-16,21-22,24,32-35H,17-20,23,25H2,1-4H3/b27-22+/t32-,33-,34+,35-,39+,40+/m1/s1
InChIKey: BAWZCXWHQRYCJR-DURPJSJGSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nigella sativa | Nigella | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 649.7840000000003
TPSA？: 104.32
MolLogP？: 7.710100000000009
Number of H-Donors: 0
Number of H-Acceptors: 8
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|