Cowanol

ID: ALA4451474

Chembl Id: CHEMBL4451474

PubChem CID: 101671063

Max Phase: Preclinical

Molecular Formula: C29H34O7

Molecular Weight: 494.58

Molecule Type: Unknown

Associated Items:

Names and Identifiers

Canonical SMILES:  COc1c(O)cc2oc3cc(O)c(C/C=C(\C)CO)c(O)c3c(=O)c2c1C/C=C(\C)CCC=C(C)C

Standard InChI:  InChI=1S/C29H34O7/c1-16(2)7-6-8-17(3)9-12-20-25-23(14-22(32)29(20)35-5)36-24-13-21(31)19(11-10-18(4)15-30)27(33)26(24)28(25)34/h7,9-10,13-14,30-33H,6,8,11-12,15H2,1-5H3/b17-9+,18-10+

Standard InChI Key:  BXFCPUCGPCDZKT-BEQMOXJMSA-N

Associated Targets(Human)

MGAM Tclin Alpha glucosidase (860 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SMPD1 Tchem Sphingomyelin phosphodiesterase (13561 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Associated Targets(non-human)

RAW264.7 (28094 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: NoOral: NoChemical Probe: NoParenteral: No
Molecule Type: UnknownTopical: NoFirst In Class: NoBlack Box: No
Chirality: NoAvailability: NoProdrug: No

Drug Indications

MESH IDMESH Heading EFO IDsEFO TermsMax Phase for IndicationReferences

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Calculated Properties

Molecular Weight: 494.58Molecular Weight (Monoisotopic): 494.2305AlogP: 5.79#Rotatable Bonds: 9
Polar Surface Area: 120.36Molecular Species: NEUTRALHBA: 7HBD: 4
#RO5 Violations: 1HBA (Lipinski): 7HBD (Lipinski): 4#RO5 Violations (Lipinski): 1
CX Acidic pKa: 7.24CX Basic pKa: CX LogP: 6.38CX LogD: 5.92
Aromatic Rings: 3Heavy Atoms: 36QED Weighted: 0.22Np Likeness Score: 2.18

References

1. Raksat A, Phukhatmuen P, Yang J, Maneerat W, Charoensup R, Andersen RJ, Wang YA, Pyne SG, Laphookhieo S..  (2020)  Phloroglucinol Benzophenones and Xanthones from the Leaves of Garcinia cowa and Their Nitric Oxide Production and α-Glucosidase Inhibitory Activities.,  83  (1): [PMID:31860303] [10.1021/acs.jnatprod.9b00849]
2. Skácel J, Slusher BS, Tsukamoto T..  (2021)  Small Molecule Inhibitors Targeting Biosynthesis of Ceramide, the Central Hub of the Sphingolipid Network.,  64  (1.0): [PMID:33395289] [10.1021/acs.jmedchem.0c01664]

Source