(6E,12E)-16,18-dihydroxy-4-methyl-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraen-2-one

C25H29NO5 — CID 24822989

IUPAC(6E,12E)-16,18-dihydroxy-4-methyl-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraen-2-one
SMILESCC1C/C=C/CCCC/C(=N\OCc2ccccc2)Cc2cc(O)cc(O)c2C(=O)O1
InChIInChI=1S/C25H29NO5/c1-18-10-6-3-2-4-9-13-21(26-30-17-19-11-7-5-8-12-19)14-20-15-22(27)16-23(28)24(20)25(29)31-18/h3,5-8,11-12,15-16,18,27-28H,2,4,9-10,13-14,17H2,1H3/b6-3+,26-21+
InChIKeyIWYKAOQAMQQSDU-OBVWITOVSA-N
MW423.51 g/mol
LogP5.28
Rot. Bonds3

About (6E,12E)-16,18-dihydroxy-4-methyl-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraen-2-one

(6E,12E)-16,18-dihydroxy-4-methyl-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraen-2-one (PubChem CID 24822989) has the molecular formula C25H29NO5 and a molecular weight of 423.51 g/mol. Its IUPAC name is (6E,12E)-16,18-dihydroxy-4-methyl-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraen-2-one.

Molecular Properties

Compound Name(6E,12E)-16,18-dihydroxy-4-methyl-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraen-2-one
PubChem CID24822989
Molecular FormulaC25H29NO5
Molecular Weight423.51 g/mol
Exact Mass423.20
IUPAC Name(6E,12E)-16,18-dihydroxy-4-methyl-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraen-2-one
SMILESCC1C/C=C/CCCC/C(=N\OCc2ccccc2)Cc2cc(O)cc(O)c2C(=O)O1
InChIInChI=1S/C25H29NO5/c1-18-10-6-3-2-4-9-13-21(26-30-17-19-11-7-5-8-12-19)14-20-15-22(27)16-23(28)24(20)25(29)31-18/h3,5-8,11-12,15-16,18,27-28H,2,4,9-10,13-14,17H2,1H3/b6-3+,26-21+
InChIKeyIWYKAOQAMQQSDU-OBVWITOVSA-N
XLogP5.28
TPSA88.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.51
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (6E,12E)-16,18-dihydroxy-4-methyl-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6E,12E)-16,18-dihydroxy-4-methyl-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraen-2-one?
The IUPAC name of (6E,12E)-16,18-dihydroxy-4-methyl-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraen-2-one (CID 24822989) is (6E,12E)-16,18-dihydroxy-4-methyl-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraen-2-one.
What is the SMILES notation for (6E,12E)-16,18-dihydroxy-4-methyl-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraen-2-one?
The canonical SMILES for (6E,12E)-16,18-dihydroxy-4-methyl-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraen-2-one is CC1C/C=C/CCCC/C(=N\OCc2ccccc2)Cc2cc(O)cc(O)c2C(=O)O1.
What is the InChIKey of (6E,12E)-16,18-dihydroxy-4-methyl-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraen-2-one?
The InChIKey is IWYKAOQAMQQSDU-OBVWITOVSA-N. The full InChI is InChI=1S/C25H29NO5/c1-18-10-6-3-2-4-9-13-21(26-30-17-19-11-7-5-8-12-19)14-20-15-22(27)16-23(28)24(20)25(29)31-18/h3,5-8,11-12,15-16,18,27-28H,2,4,9-10,13-14,17H2,1H3/b6-3+,26-21+.
What are the key properties of (6E,12E)-16,18-dihydroxy-4-methyl-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraen-2-one?
(6E,12E)-16,18-dihydroxy-4-methyl-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraen-2-one has a molecular weight of 423.51 g/mol, XLogP of 5.28, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,12E)-16,18-dihydroxy-4-methyl-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraen-2-one is sourced from PubChem (CID 24822989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).