Glabridin

C20H20O4 — CID 124052

IUPAC4-[(3R)-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl]benzene-1,3-diol
SMILESCC1(C=CC2=C(O1)C=CC3=C2OC[C@H](C3)C4=C(C=C(C=C4)O)O)C
InChIInChI=1S/C20H20O4/c1-20(2)8-7-16-18(24-20)6-3-12-9-13(11-23-19(12)16)15-5-4-14(21)10-17(15)22/h3-8,10,13,21-22H,9,11H2,1-2H3/t13-/m0/s1
InChIKeyLBQIJVLKGVZRIW-ZDUSSCGKSA-N
MW324.40 g/mol
LogP3.90
Rot. Bonds1

About Glabridin

Glabridin (PubChem CID 124052) has the molecular formula C20H20O4 and a molecular weight of 324.40 g/mol. Its IUPAC name is 4-[(3R)-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl]benzene-1,3-diol.

Molecular Properties

Compound NameGlabridin
PubChem CID124052
Molecular FormulaC20H20O4
Molecular Weight324.40 g/mol
Exact Mass324.14
IUPAC Name4-[(3R)-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl]benzene-1,3-diol
SMILESCC1(C=CC2=C(O1)C=CC3=C2OC[C@H](C3)C4=C(C=C(C=C4)O)O)C
InChIInChI=1S/C20H20O4/c1-20(2)8-7-16-18(24-20)6-3-12-9-13(11-23-19(12)16)15-5-4-14(21)10-17(15)22/h3-8,10,13,21-22H,9,11H2,1-2H3/t13-/m0/s1
InChIKeyLBQIJVLKGVZRIW-ZDUSSCGKSA-N
XLogP3.90
TPSA58.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity488

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Delta-8-Tetrahydrocannabinol
CID 638026
Dexanabinol
CID 107778
Phenoxodiol
CID 219100
Tetrahydrocannabivarin
CID 93147
Procyanidin B1
CID 11250133
Procyanidin B2
CID 122738
4',7-Dihydroxy-3,4-dihydroisoflavone
CID 382975

Frequently Asked Questions

What is the IUPAC name of Glabridin?
The IUPAC name of Glabridin (CID 124052) is 4-[(3R)-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl]benzene-1,3-diol.
What is the SMILES notation for Glabridin?
The canonical SMILES for Glabridin is CC1(C=CC2=C(O1)C=CC3=C2OC[C@H](C3)C4=C(C=C(C=C4)O)O)C.
What is the InChIKey of Glabridin?
The InChIKey is LBQIJVLKGVZRIW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H20O4/c1-20(2)8-7-16-18(24-20)6-3-12-9-13(11-23-19(12)16)15-5-4-14(21)10-17(15)22/h3-8,10,13,21-22H,9,11H2,1-2H3/t13-/m0/s1.
What are the key properties of Glabridin?
Glabridin has a molecular weight of 324.40 g/mol, XLogP of 3.90, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Glabridin is sourced from PubChem (CID 124052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).