None
AlkaPlorer ID: AK319386
Synonym: None
IUPAC Name: 2-[(1S,11R,13S,14S,17S,27S,30R,33S,35S,36S)-38-(2-hydroxyethylidene)-14,30-dimethyl-8,24-diaza-14,30-diazoniaundecacyclo[25.5.2.211,14.11,26.110,17.02,7.013,17.018,23.030,33.08,35.024,36]octatriaconta-2,4,6,9,18,20,22,25-octaen-29-ylidene]ethanol
Structure
SMILES: C[N@@+]12CC[C@@]34C5=CC=CC=C5N5C=C6[C@@H]7CC(=CCO)[N@+]8(C)CC[C@@]9(C%10=CC=CC=C%10N(C=C([C@H](C[C@@H]31)C(=CCO)C2)[C@H]54)[C@@H]69)[C@@H]8C7
InChI: InChI=1S/C40H46N4O2/c1-43-15-13-39-31-7-3-5-9-33(31)41-22-29-26-19-27(12-18-46)44(2)16-14-40(36(44)20-26)32-8-4-6-10-34(32)42(37(29)40)23-30(38(39)41)28(21-35(39)43)25(24-43)11-17-45/h3-12,22-23,26,28,35-38,45-46H,13-21,24H2,1-2H3/q+2/t26-,28-,35+,36+,37+,38+,39-,40-,43+,44+/m1/s1
InChIKey: AJWRDXMETODART-SLBJITQKSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Derris trifoliata | Derris | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 614.8340000000002
TPSA？: 46.94
MolLogP？: 4.710800000000004
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 11
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|