Leucophyllidine
AlkaPlorer ID: AK095264
Synonym: None
IUPAC Name: (13R)-10-ethenyl-13-ethyl-7-[(15R,17S,19R)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yl]-1,3-diazatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10-pentaen-6-ol
Structure
SMILES: C=CC1=C2C[C@@]3(CC)CCCN(C3)C2=NC2=CC(O)=C([C@@H]3C[C@@]4(CC)CCCN5CCC6=C([C@H]54)N3C3=CC=CC=C63)C=C12
InChI: InChI=1S/C38H44N4O/c1-4-24-27-19-28(33(43)20-30(27)39-36-29(24)21-37(5-2)14-9-17-41(36)23-37)32-22-38(6-3)15-10-16-40-18-13-26-25-11-7-8-12-31(25)42(32)34(26)35(38)40/h4,7-8,11-12,19-20,32,35,43H,1,5-6,9-10,13-18,21-23H2,2-3H3/t32-,35-,37+,38+/m0/s1
InChIKey: ZEWZJFWYVWSQKO-LOCAODKASA-N
Reference
PubChem CID: 135908479
LOTUS: LTS0220306
SuperNatural Ⅲ: SN0468554-01
NPASS: NPC2497
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Leuconotis | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 572.7970000000004
TPSA？: 44.53
MolLogP？: 8.173300000000008
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | NON-PROTEIN TARGET | IC50 | 7100.0 | nM | 10.1021/np100458b |