(2R,3R)-7-hydroxy-2,3-dimethyl-2-[(E)-4-methyl-5-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pent-3-enyl]-3H-furo[3,2-c]chromen-4-one

C24H26O6 — CID 162956190

IUPAC(2R,3R)-7-hydroxy-2,3-dimethyl-2-[(E)-4-methyl-5-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pent-3-enyl]-3H-furo[3,2-c]chromen-4-one
SMILESCC1=C[C@@H](C/C(C)=C/CC[C@@]2(C)Oc3c(c(=O)oc4cc(O)ccc34)[C@H]2C)OC1=O
InChIInChI=1S/C24H26O6/c1-13(10-17-11-14(2)22(26)28-17)6-5-9-24(4)15(3)20-21(30-24)18-8-7-16(25)12-19(18)29-23(20)27/h6-8,11-12,15,17,25H,5,9-10H2,1-4H3/b13-6+/t15-,17-,24-/m1/s1
InChIKeyQZBUJGPGJAQWIM-NGJVOWRXSA-N
MW410.47 g/mol
LogP4.74
Rot. Bonds5

About (2R,3R)-7-hydroxy-2,3-dimethyl-2-[(E)-4-methyl-5-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pent-3-enyl]-3H-furo[3,2-c]chromen-4-one

(2R,3R)-7-hydroxy-2,3-dimethyl-2-[(E)-4-methyl-5-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pent-3-enyl]-3H-furo[3,2-c]chromen-4-one (PubChem CID 162956190) has the molecular formula C24H26O6 and a molecular weight of 410.47 g/mol. Its IUPAC name is (2R,3R)-7-hydroxy-2,3-dimethyl-2-[(E)-4-methyl-5-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pent-3-enyl]-3H-furo[3,2-c]chromen-4-one.

Molecular Properties

Compound Name(2R,3R)-7-hydroxy-2,3-dimethyl-2-[(E)-4-methyl-5-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pent-3-enyl]-3H-furo[3,2-c]chromen-4-one
PubChem CID162956190
Molecular FormulaC24H26O6
Molecular Weight410.47 g/mol
Exact Mass410.17
IUPAC Name(2R,3R)-7-hydroxy-2,3-dimethyl-2-[(E)-4-methyl-5-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pent-3-enyl]-3H-furo[3,2-c]chromen-4-one
SMILESCC1=C[C@@H](C/C(C)=C/CC[C@@]2(C)Oc3c(c(=O)oc4cc(O)ccc34)[C@H]2C)OC1=O
InChIInChI=1S/C24H26O6/c1-13(10-17-11-14(2)22(26)28-17)6-5-9-24(4)15(3)20-21(30-24)18-8-7-16(25)12-19(18)29-23(20)27/h6-8,11-12,15,17,25H,5,9-10H2,1-4H3/b13-6+/t15-,17-,24-/m1/s1
InChIKeyQZBUJGPGJAQWIM-NGJVOWRXSA-N
XLogP4.74
TPSA85.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R,3R)-7-hydroxy-2,3-dimethyl-2-[(E)-4-methyl-5-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pent-3-enyl]-3H-furo[3,2-c]chromen-4-one with MolForge

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Related Compounds

(2R,3S)-7-hydroxy-2,3-dimethyl-2-[(E)-4-methyl-5-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pent-3-enyl]-3H-furo[3,2-c]chromen-4-one
CID 162956192
(2R,3S)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-7-hydroxy-2,3-dimethyl-3H-furo[3,2-c]chromen-4-one
CID 11036345
(2R,3S)-2-[(4Z)-4,8-dimethyl-6-oxonona-4,7-dienyl]-7-hydroxy-2,3-dimethyl-3H-furo[3,2-c]chromen-4-one
CID 10250145
(2S,3R)-2-(4,8-dimethylnona-3,7-dienyl)-7-hydroxy-2,3-dimethyl-3H-furo[2,3-b]chromen-4-one
CID 162959945
(2S,3R)-2-(8-hydroxy-4,8-dimethylnona-3,6-dienyl)-7-methoxy-2,3-dimethyl-3H-furo[2,3-b]chromen-4-one
CID 163045411
7-[(Z)-3-methyl-4-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]but-2-enoxy]chromen-2-one
CID 92529317
(2R,3S)-3-(4,8-dimethylnona-3,7-dienyl)-7-methoxy-2,3-dimethyl-2H-furo[3,2-c]chromen-4-one
CID 162930178
3-hydroxy-6b,10a-dihydro-[1]benzofuro[3,2-c]chromen-6-one
CID 89072166
7-hydroxy-4-methyl-3-phosphanylchromen-2-one
CID 88515701
7-hydroxy-3-[(7-hydroxy-4-methyl-2-oxochromen-3-yl)methyl]-4-methylchromen-2-one
CID 10473941
4-methoxy-9-[3-methyl-4-(4-methyl-5-oxo-2H-furan-2-yl)but-2-enoxy]furo[3,2-g]chromen-7-one
CID 162921781
ethyl 3,9-dihydroxy-9-methyl-6-oxo-7-phenyl-8,10-dihydro-7H-benzo[c]chromene-8-carboxylate
CID 134836762

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-7-hydroxy-2,3-dimethyl-2-[(E)-4-methyl-5-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pent-3-enyl]-3H-furo[3,2-c]chromen-4-one?
The IUPAC name of (2R,3R)-7-hydroxy-2,3-dimethyl-2-[(E)-4-methyl-5-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pent-3-enyl]-3H-furo[3,2-c]chromen-4-one (CID 162956190) is (2R,3R)-7-hydroxy-2,3-dimethyl-2-[(E)-4-methyl-5-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pent-3-enyl]-3H-furo[3,2-c]chromen-4-one.
What is the SMILES notation for (2R,3R)-7-hydroxy-2,3-dimethyl-2-[(E)-4-methyl-5-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pent-3-enyl]-3H-furo[3,2-c]chromen-4-one?
The canonical SMILES for (2R,3R)-7-hydroxy-2,3-dimethyl-2-[(E)-4-methyl-5-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pent-3-enyl]-3H-furo[3,2-c]chromen-4-one is CC1=C[C@@H](C/C(C)=C/CC[C@@]2(C)Oc3c(c(=O)oc4cc(O)ccc34)[C@H]2C)OC1=O.
What is the InChIKey of (2R,3R)-7-hydroxy-2,3-dimethyl-2-[(E)-4-methyl-5-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pent-3-enyl]-3H-furo[3,2-c]chromen-4-one?
The InChIKey is QZBUJGPGJAQWIM-NGJVOWRXSA-N. The full InChI is InChI=1S/C24H26O6/c1-13(10-17-11-14(2)22(26)28-17)6-5-9-24(4)15(3)20-21(30-24)18-8-7-16(25)12-19(18)29-23(20)27/h6-8,11-12,15,17,25H,5,9-10H2,1-4H3/b13-6+/t15-,17-,24-/m1/s1.
What are the key properties of (2R,3R)-7-hydroxy-2,3-dimethyl-2-[(E)-4-methyl-5-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pent-3-enyl]-3H-furo[3,2-c]chromen-4-one?
(2R,3R)-7-hydroxy-2,3-dimethyl-2-[(E)-4-methyl-5-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pent-3-enyl]-3H-furo[3,2-c]chromen-4-one has a molecular weight of 410.47 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-7-hydroxy-2,3-dimethyl-2-[(E)-4-methyl-5-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pent-3-enyl]-3H-furo[3,2-c]chromen-4-one is sourced from PubChem (CID 162956190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).