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.
Trichocadinin F ID: ALA4455407
Chembl Id: CHEMBL4455407
PubChem CID: 145721093
Max Phase: Preclinical
Molecular Formula: C15H24O3
Molecular Weight: 252.35
Molecule Type: Unknown
Associated Items:
Names and Identifiers Canonical SMILES: CC(C)[C@H]1CC[C@@H](C)[C@]2(O)CCC(C(=O)O)=C[C@H]12
Standard InChI: InChI=1S/C15H24O3/c1-9(2)12-5-4-10(3)15(18)7-6-11(14(16)17)8-13(12)15/h8-10,12-13,18H,4-7H2,1-3H3,(H,16,17)/t10-,12-,13-,15-/m1/s1
Standard InChI Key: ISNQOHCTTZIKKK-BPGGGUHBSA-N
Associated Targets(non-human) Molecule Features Natural Product: YesOral: NoChemical Probe: NoParenteral: NoMolecule Type: UnknownTopical: 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: 252.35Molecular Weight (Monoisotopic): 252.1725AlogP: 2.84#Rotatable Bonds: 2Polar Surface Area: 57.53Molecular Species: ACIDHBA: 2HBD: 2#RO5 Violations: 0HBA (Lipinski): 3HBD (Lipinski): 2#RO5 Violations (Lipinski): 0CX Acidic pKa: 4.72CX Basic pKa: CX LogP: 2.89CX LogD: 0.26Aromatic Rings: 0Heavy Atoms: 18QED Weighted: 0.79Np Likeness Score: 2.71
References 1. Shi XS, Meng LH, Li XM, Li X, Wang DJ, Li HL, Zhou XW, Wang BG.. (2019) Trichocadinins B-G: Antimicrobial Cadinane Sesquiterpenes from Trichoderma virens QA-8, an Endophytic Fungus Obtained from the Medicinal Plant Artemisia argyi ., 82 (9): [PMID:31418264 ] [10.1021/acs.jnatprod.9b00139 ]