None
AlkaPlorer ID: AK323003
Synonym: None
IUPAC Name: (1S,16S)-16-hydroxy-3,3,7,7,12,14,14-heptamethyl-6,13-diazatetracyclo[7.6.1.01,11.05,16]hexadeca-5,8,11-trien-10-one
Structure
SMILES: CC1=C2C(=O)C3=CC(C)(C)N=C4CC(C)(C)C[C@@]2(CC(C)(C)N1)[C@]34O
InChI: InChI=1S/C21H30N2O2/c1-12-15-16(24)13-8-18(4,5)23-14-9-17(2,3)10-20(15,21(13,14)25)11-19(6,7)22-12/h8,22,25H,9-11H2,1-7H3/t20-,21-/m0/s1
InChIKey: FLTZLWRXMQFEQB-SFTDATJTSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Anacyclus pyrethrum | Anacyclus | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 342.483
TPSA？: 61.69
MolLogP？: 3.3121000000000023
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Menin | Inhibition | 50.0 | % | 10.1021/acs.jnatprod.8b00239 |