7N8Khw7Y6A
2-[(3R)-8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl]-5-propoxyphenol
Molecular Identity
7N8Khw7Y6A
2-[(3R)-8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl]-5-propoxyphenol
PubChem CID: 138594142
2D Structure
Properties
C23H28O4
Molecular Formula
368.50
Molecular Weight
g/mol
368.1988
Exact Mass
Da
5.2
XLogP
Above Lipinski threshold
47.9
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
4
H-Bond Acceptors
493
Complexity
SMILES
Canonical SMILES
SMILES: CCCOC1=CC(=C(C=C1)C2CC3=C(C4=C(C=C3)OC(CC4)(C)C)OC2)OIsomeric SMILES
SMILES: CCCOC1=CC(=C(C=C1)[C@H]2CC3=C(C4=C(C=C3)OC(CC4)(C)C)OC2)OSynonyms(9)
HGR-4113HGR41137N8KHW7Y6ACHEMBL5314957SCHEMBL20954702(R)-2-(8,8-dimethyl-2,3,4,8,9,10-hexahydropyrano[2,3-f]chromen-3-yl)-5-propoxyphenol2170918-46-25-Propoxy-2-[(3R)-3,4,9,10-tetrahydro-8,8-dimethyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-3-yl]phenolPhenol, 5-propoxy-2-[(3R)-3,4,9,10-tetrahydro-8,8-dimethyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-3-yl]-
Data from PubChem (NCBI)
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