None
AlkaPlorer ID: AK324132
Synonym: None
IUPAC Name: (3R,6S,7S,10R,13R,14R)-3,10-dimethyl-13,14-bis[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]-2,5,8,11-tetrazadispiro[5.0.57.26]tetradecane-1,4,9,12-tetrone
Structure
SMILES: C=CC(C)(C)C1=C([C@H]2[C@H](C3=C(C(C)(C)C=C)NC4=CC=CC=C34)[C@]3(N=C(O)[C@@H](C)N=C3O)[C@@]23N=C(O)[C@@H](C)N=C3O)C2=CC=CC=C2N1
InChI: InChI=1S/C38H42N6O4/c1-9-35(5,6)29-25(21-15-11-13-17-23(21)41-29)27-28(26-22-16-12-14-18-24(22)42-30(26)36(7,8)10-2)38(34(48)40-20(4)32(46)44-38)37(27)33(47)39-19(3)31(45)43-37/h9-20,27-28,41-42H,1-2H2,3-8H3,(H,39,47)(H,40,48)(H,43,45)(H,44,46)/t19-,20-,27+,28+,37-,38-/m1/s1
InChIKey: QADNRKZZMQVKTL-RNMFJSAKSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Uncaria rhynchophylla | Uncaria | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 646.7920000000001
TPSA？: 161.94
MolLogP？: 7.565200000000007
Number of H-Donors: 6
Number of H-Acceptors: 4
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Melatonin receptor 1A | Activity | 11.26 | % | 10.1021/acs.jnatprod.6b00938 |
| Homo sapiens | Melatonin receptor 1B | Activity | 52.44 | % | 10.1021/acs.jnatprod.6b00938 |
| Homo sapiens | Serotonin 1a (5-HT1a) receptor | Activity | nan | None | 10.1021/acs.jnatprod.6b00938 |
| Homo sapiens | Serotonin 2c (5-HT2c) receptor | Activity | nan | None | 10.1021/acs.jnatprod.6b00938 |