The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser. For the best experience on our site, be sure to turn on Javascript in your browser.
norrisolide ID: ALA514367
Chembl Id: CHEMBL514367
PubChem CID: 11349389
Max Phase: Preclinical
Molecular Formula: C22H32O5
Molecular Weight: 376.49
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Synonyms: Norrisolide | norrisolide|CHEMBL514367|SCHEMBL5513805|[(2R,3R,3aR,6aR)-3-[1-[(1R,3aS,7aS)-4,4,7a-trimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]ethenyl]-5-oxo-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-2-yl] acetate
Canonical SMILES: C=C([C@@H]1[C@@H](OC(C)=O)O[C@@H]2OC(=O)C[C@@H]21)[C@H]1CC[C@H]2C(C)(C)CCC[C@]12C
Standard InChI: InChI=1S/C22H32O5/c1-12(15-7-8-16-21(3,4)9-6-10-22(15,16)5)18-14-11-17(24)26-19(14)27-20(18)25-13(2)23/h14-16,18-20H,1,6-11H2,2-5H3/t14-,15-,16+,18+,19+,20+,22-/m1/s1
Standard InChI Key: RNRGYNNIISFTDF-IFEZDQECSA-N
Associated Targets(non-human) Molecule Features Natural Product: YesOral: NoChemical Probe: NoParenteral: NoMolecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: NoChirality: NoAvailability: NoProdrug: No
Drug Indications MESH ID MESH Heading EFO IDs EFO Terms Max Phase for Indication References
Mechanisms of Action Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References
Calculated Properties Molecular Weight: 376.49Molecular Weight (Monoisotopic): 376.2250AlogP: 4.21#Rotatable Bonds: 3Polar Surface Area: 61.83Molecular Species: NEUTRALHBA: 5HBD: ┄#RO5 Violations: ┄HBA (Lipinski): 5HBD (Lipinski): ┄#RO5 Violations (Lipinski): ┄CX Acidic pKa: ┄CX Basic pKa: ┄CX LogP: 3.96CX LogD: 3.96Aromatic Rings: ┄Heavy Atoms: 27QED Weighted: 0.55Np Likeness Score: 3.03
References 1. Potts BC, Faulkner DJ, Jacobs RS.. (1992) Phospholipase A2 inhibitors from marine organisms., 55 (12): [PMID:1294693 ] [10.1021/np50090a001 ] 2. Guizzunti G, Brady TP, Fischer D, Malhotra V, Theodorakis EA.. (2010) Chemical biology studies on norrisolide., 18 (6): [PMID:20189813 ] [10.1016/j.bmc.2010.02.007 ]