Molecule

(3S,3aR,6S,6aR)-6-[5-(2H-1,3-benzodioxol-5-yloxy)-1,2,3,4-tetrazol-1-yl]-N-benzyl-hexahydrofuro[3,2-b]furan-3-amine

AlkaPlorer ID: AK447764

Synonym: None

IUPAC Name: (3S,3aR,6S,6aR)-6-[5-(1,3-benzodioxol-5-yloxy)tetrazol-1-yl]-N-benzyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-amine

Structure

SMILES: C1=CC=C(CN[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3N2N=NN=C2OC2=CC=C3OCOC3=C2)C=C1

InChI: InChI=1S/C21H21N5O5/c1-2-4-13(5-3-1)9-22-15-10-27-20-16(11-28-19(15)20)26-21(23-24-25-26)31-14-6-7-17-18(8-14)30-12-29-17/h1-8,15-16,19-20,22H,9-12H2/t15-,16-,19+,20+/m0/s1

InChIKey: LQFQZYRTAKPGDH-XAMWDVODSA-N

Reference

Isolation, Structural Modification, and HIV Inhibition of Pentacyclic Lupane-Type Triterpenoids from Cassine xylocarpa and Maytenus cuzcoina

New Cytotoxic Lupane Lactones from Kokoona ochracea

Lupane Derivatives from Lophopetalum wallichii with Farnesyl Protein Transferase Inhibitory Activity

PubChem CID: 11886242

SuperNatural Ⅲ: SN0212398-02

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain

Properties Information

Molecule Weight: 423.42900000000026

TPSA？: 101.78000000000002

MolLogP？: 1.6911999999999985

Number of H-Donors: 1

Number of H-Acceptors: 10

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi