HYACINTHACINE C4

ID: ALA388095

Max Phase: Preclinical

Molecular Formula: C9H17NO5

Molecular Weight: 219.24

Molecule Type: Small molecule

Associated Items:

Representations

Synonyms (1): hyacinthacine C4
Synonyms from Alternative Forms(1):

    Canonical SMILES:  C[C@@H]1[C@@H](O)[C@H](O)[C@@H]2[C@H](O)[C@H](O)[C@@H](CO)N21

    Standard InChI:  InChI=1S/C9H17NO5/c1-3-6(12)8(14)5-9(15)7(13)4(2-11)10(3)5/h3-9,11-15H,2H2,1H3/t3-,4-,5-,6-,7-,8-,9+/m1/s1

    Standard InChI Key:  TXKSAMJHOAHOGY-DHLNZZEGSA-N

    Associated Targets(Human)

    Alpha-L-fucosidase I 304 Activities

    Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

    Associated Targets(non-human)

    Beta-galactosidase 7 Activities

    Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

    Beta-galactosidase 500 Activities

    Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

    Alpha-galactosidase 39 Activities

    Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

    Molecule Features

    Natural Product: YesOral: NoChemical Probe: NoParenteral: No
    Molecule Type: Small moleculeTopical: 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

    Properties

    Molecular Weight: 219.24Molecular Weight (Monoisotopic): 219.1107AlogP: -3.12#Rotatable Bonds: 1
    Polar Surface Area: 104.39Molecular Species: BASEHBA: 6HBD: 5
    #RO5 Violations: 0HBA (Lipinski): 6HBD (Lipinski): 5#RO5 Violations (Lipinski): 0
    CX Acidic pKa: 8.43CX Basic pKa: 15.76CX LogP: -2.83CX LogD: -3.89
    Aromatic Rings: 0Heavy Atoms: 15QED Weighted: 0.32Np Likeness Score: 2.04

    References

    1. Kato A, Kato N, Adachi I, Hollinshead J, Fleet GW, Kuriyama C, Ikeda K, Asano N, Nash RJ..  (2007)  Isolation of glycosidase-inhibiting hyacinthacines and related alkaloids from Scilla socialis.,  70  (6): [PMID:17536859] [10.1021/np0700826]

    Source