7,10-dihydroxy-15-[(E)-4-hydroxy-3-methylbut-2-enyl]-17-methyl-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4(9),5,7,11-tetraen-14-one

C22H24O6 — CID 53493735

IUPAC7,10-dihydroxy-15-[(E)-4-hydroxy-3-methylbut-2-enyl]-17-methyl-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4(9),5,7,11-tetraen-14-one
SMILESC/C(=C\CC12OC(C)C3CC(C=C4C(O)c5cc(O)ccc5OC431)C2=O)CO
InChIInChI=1S/C22H24O6/c1-11(10-23)5-6-21-20(26)13-7-16(12(2)27-21)22(21)17(8-13)19(25)15-9-14(24)3-4-18(15)28-22/h3-5,8-9,12-13,16,19,23-25H,6-7,10H2,1-2H3/b11-5+
InChIKeyMGRXYYFOSOQPMX-VZUCSPMQSA-N
MW384.43 g/mol
LogP2.19
Rot. Bonds3

About 7,10-dihydroxy-15-[(E)-4-hydroxy-3-methylbut-2-enyl]-17-methyl-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4(9),5,7,11-tetraen-14-one

7,10-dihydroxy-15-[(E)-4-hydroxy-3-methylbut-2-enyl]-17-methyl-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4(9),5,7,11-tetraen-14-one (PubChem CID 53493735) has the molecular formula C22H24O6 and a molecular weight of 384.43 g/mol. Its IUPAC name is 7,10-dihydroxy-15-[(E)-4-hydroxy-3-methylbut-2-enyl]-17-methyl-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4(9),5,7,11-tetraen-14-one.

Molecular Properties

Compound Name7,10-dihydroxy-15-[(E)-4-hydroxy-3-methylbut-2-enyl]-17-methyl-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4(9),5,7,11-tetraen-14-one
PubChem CID53493735
Molecular FormulaC22H24O6
Molecular Weight384.43 g/mol
Exact Mass384.16
IUPAC Name7,10-dihydroxy-15-[(E)-4-hydroxy-3-methylbut-2-enyl]-17-methyl-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4(9),5,7,11-tetraen-14-one
SMILESC/C(=C\CC12OC(C)C3CC(C=C4C(O)c5cc(O)ccc5OC431)C2=O)CO
InChIInChI=1S/C22H24O6/c1-11(10-23)5-6-21-20(26)13-7-16(12(2)27-21)22(21)17(8-13)19(25)15-9-14(24)3-4-18(15)28-22/h3-5,8-9,12-13,16,19,23-25H,6-7,10H2,1-2H3/b11-5+
InChIKeyMGRXYYFOSOQPMX-VZUCSPMQSA-N
XLogP2.19
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7,10-dihydroxy-15-[(E)-4-hydroxy-3-methylbut-2-enyl]-17-methyl-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4(9),5,7,11-tetraen-14-one?
The IUPAC name of 7,10-dihydroxy-15-[(E)-4-hydroxy-3-methylbut-2-enyl]-17-methyl-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4(9),5,7,11-tetraen-14-one (CID 53493735) is 7,10-dihydroxy-15-[(E)-4-hydroxy-3-methylbut-2-enyl]-17-methyl-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4(9),5,7,11-tetraen-14-one.
What is the SMILES notation for 7,10-dihydroxy-15-[(E)-4-hydroxy-3-methylbut-2-enyl]-17-methyl-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4(9),5,7,11-tetraen-14-one?
The canonical SMILES for 7,10-dihydroxy-15-[(E)-4-hydroxy-3-methylbut-2-enyl]-17-methyl-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4(9),5,7,11-tetraen-14-one is C/C(=C\CC12OC(C)C3CC(C=C4C(O)c5cc(O)ccc5OC431)C2=O)CO.
What is the InChIKey of 7,10-dihydroxy-15-[(E)-4-hydroxy-3-methylbut-2-enyl]-17-methyl-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4(9),5,7,11-tetraen-14-one?
The InChIKey is MGRXYYFOSOQPMX-VZUCSPMQSA-N. The full InChI is InChI=1S/C22H24O6/c1-11(10-23)5-6-21-20(26)13-7-16(12(2)27-21)22(21)17(8-13)19(25)15-9-14(24)3-4-18(15)28-22/h3-5,8-9,12-13,16,19,23-25H,6-7,10H2,1-2H3/b11-5+.
What are the key properties of 7,10-dihydroxy-15-[(E)-4-hydroxy-3-methylbut-2-enyl]-17-methyl-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4(9),5,7,11-tetraen-14-one?
7,10-dihydroxy-15-[(E)-4-hydroxy-3-methylbut-2-enyl]-17-methyl-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4(9),5,7,11-tetraen-14-one has a molecular weight of 384.43 g/mol, XLogP of 2.19, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10-dihydroxy-15-[(E)-4-hydroxy-3-methylbut-2-enyl]-17-methyl-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4(9),5,7,11-tetraen-14-one is sourced from PubChem (CID 53493735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).