3-[(3S,3aR,6S,6aR)-6-[4-(cyclohexylmethyl)-1,2,3-triazol-1-yl]-hexahydrofuro[3,2-b]furan-3-yl]-1-(4-methoxyphenyl)urea
AlkaPlorer ID: AK338429
Synonym: None
IUPAC Name: 1-[6-[4-(cyclohexylmethyl)triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-(4-methoxyphenyl)urea
Structure
SMILES: COC1=CC=C(NC(=O)NC2COC3C2OCC3N2C=C(CC3CCCCC3)N=N2)C=C1
InChI: InChI=1S/C23H31N5O4/c1-30-18-9-7-16(8-10-18)24-23(29)25-19-13-31-22-20(14-32-21(19)22)28-12-17(26-27-28)11-15-5-3-2-4-6-15/h7-10,12,15,19-22H,2-6,11,13-14H2,1H3,(H2,24,25,29)
InChIKey: AXLRNOYIFSYXDW-UHFFFAOYSA-N
Reference
Novel Bioactive Clerodane Diterpenoids from the Leaves and Twigs of <i>Casearia sylvestris</i>
PubChem CID: 73138838
COCONUT: CNP0438483.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
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Properties Information
Molecule Weight: 441.53200000000027
TPSA？: 99.53
MolLogP？: 2.9385000000000003
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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