3-[methyl({[3-methyl-6-(propan-2-yl)-4-{[5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methyl}cyclohex-2-en-1-yl]methyl})amino]propanenitrile
AlkaPlorer ID: AK089317
Synonym: None
IUPAC Name: 3-[methyl-[[(1S,4S,6S)-3-methyl-6-propan-2-yl-4-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohex-2-en-1-yl]methyl]amino]propanenitrile
Structure
SMILES: CC1=C[C@@H](CN(C)CCC#N)[C@H](C(C)C)C[C@H]1CC1=NN=C(C2=CC=CN=C2)O1
InChI: InChI=1S/C23H31N5O/c1-16(2)21-12-19(17(3)11-20(21)15-28(4)10-6-8-24)13-22-26-27-23(29-22)18-7-5-9-25-14-18/h5,7,9,11,14,16,19-21H,6,10,12-13,15H2,1-4H3/t19-,20-,21-/m0/s1
InChIKey: VGJRAUJCHRODHZ-ACRUOGEOSA-N
Reference
Flavonoids and anthocyanins from six Cassytha taxa (Lauraceae) as taxonomic markers
PubChem CID: 38030429
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
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Properties Information
Molecule Weight: 393.53500000000014
TPSA？: 78.84
MolLogP？: 4.374180000000004
Number of H-Donors: 0
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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