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.
CYCLOMARINONE ID: ALA2335705
Max Phase: Preclinical
Molecular Formula: C11H12O4
Molecular Weight: 208.21
Molecule Type: Small molecule
Associated Items:
Representations Synonyms (1): CyclomarinoneSynonyms from Alternative Forms(1):
Canonical SMILES: COc1c(C)c(O)cc2c1C(O)CC2=O
Standard InChI: InChI=1S/C11H12O4/c1-5-7(12)3-6-8(13)4-9(14)10(6)11(5)15-2/h3,9,12,14H,4H2,1-2H3
Standard InChI Key: ZRVBCQIYHYRHIB-UHFFFAOYSA-N
Associated Targets(Human) 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
Properties Molecular Weight: 208.21Molecular Weight (Monoisotopic): 208.0736AlogP: 1.33#Rotatable Bonds: 1Polar Surface Area: 66.76Molecular Species: NEUTRALHBA: 4HBD: 2#RO5 Violations: 0HBA (Lipinski): 4HBD (Lipinski): 2#RO5 Violations (Lipinski): 0CX Acidic pKa: 9.26CX Basic pKa: CX LogP: 0.81CX LogD: 0.81Aromatic Rings: 1Heavy Atoms: 15QED Weighted: 0.73Np Likeness Score: 2.21
References 1. Almeida C, Eguereva E, Kehraus S, König GM.. (2013) Unprecedented polyketides from a marine sponge-associated Stachylidium sp., 76 (3): [PMID:23268694 ] [10.1021/np300668j ]
