Leucoridine D
AlkaPlorer ID: AK084864
Synonym: None
IUPAC Name: (1S,9S,11S,12S,17S)-12-ethyl-6-[[(1R,10S,11S,12S,17S)-12-ethyl-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,8-tetraen-10-yl]methyl]-10-methylidene-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6-triene
Structure
SMILES: C=C1[C@H]2C[C@@H]3N(CC[C@@]34C3=C(N[C@@H]14)C(C[C@@H]1C4=NC5=CC=CC=C5[C@@]45CCN4C[C@@H](CC)[C@@H]1C[C@H]45)=CC=C3)C[C@H]2CC
InChI: InChI=1S/C38H46N4/c1-4-23-20-41-16-14-38-30-11-8-9-25(34(30)40-35(38)22(3)26(23)18-32(38)41)17-28-27-19-33-37(13-15-42(33)21-24(27)5-2)29-10-6-7-12-31(29)39-36(28)37/h6-12,23-24,26-28,32-33,35,40H,3-5,13-21H2,1-2H3/t23-,24-,26-,27+,28+,32+,33+,35+,37-,38-/m1/s1
InChIKey: ZOKATMGICWFWCT-SYZQWITBSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Leuconotis | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 558.8140000000002
TPSA？: 30.87
MolLogP？: 6.725500000000007
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | KB | IC50 | 12.53 | ug.mL-1 | 10.1021/np1001187 |
| None | NON-PROTEIN TARGET | IC50 | 13.29 | ug.mL-1 | 10.1021/np1001187 |