(Z,4E)-N-[(E)-3-[(4S,6S,8R,9Z,11E)-17-hydroxy-2-oxo-3,7-dioxatricyclo[11.4.0.06,8]heptadeca-1(13),9,11,14,16-pentaen-4-yl]prop-1-enyl]-4-methoxyiminobut-2-enamide

C23H24N2O6 — CID 10070982

IUPAC(Z,4E)-N-[(E)-3-[(4S,6S,8R,9Z,11E)-17-hydroxy-2-oxo-3,7-dioxatricyclo[11.4.0.06,8]heptadeca-1(13),9,11,14,16-pentaen-4-yl]prop-1-enyl]-4-methoxyiminobut-2-enamide
SMILESCO/N=C/C=C\C(=O)N/C=C/C[C@H]1C[C@@H]2O[C@@H]2/C=C\C=C\c2cccc(O)c2C(=O)O1
InChIInChI=1S/C23H24N2O6/c1-29-25-14-6-12-21(27)24-13-5-9-17-15-20-19(31-20)11-3-2-7-16-8-4-10-18(26)22(16)23(28)30-17/h2-8,10-14,17,19-20,26H,9,15H2,1H3,(H,24,27)/b7-2+,11-3-,12-6-,13-5+,25-14+/t17-,19+,20-/m0/s1
InChIKeyAHOWOFTYCJCPEK-SESCTWRFSA-N
MW424.45 g/mol
LogP2.87
Rot. Bonds6

About (Z,4E)-N-[(E)-3-[(4S,6S,8R,9Z,11E)-17-hydroxy-2-oxo-3,7-dioxatricyclo[11.4.0.06,8]heptadeca-1(13),9,11,14,16-pentaen-4-yl]prop-1-enyl]-4-methoxyiminobut-2-enamide

(Z,4E)-N-[(E)-3-[(4S,6S,8R,9Z,11E)-17-hydroxy-2-oxo-3,7-dioxatricyclo[11.4.0.06,8]heptadeca-1(13),9,11,14,16-pentaen-4-yl]prop-1-enyl]-4-methoxyiminobut-2-enamide (PubChem CID 10070982) has the molecular formula C23H24N2O6 and a molecular weight of 424.45 g/mol. Its IUPAC name is (Z,4E)-N-[(E)-3-[(4S,6S,8R,9Z,11E)-17-hydroxy-2-oxo-3,7-dioxatricyclo[11.4.0.06,8]heptadeca-1(13),9,11,14,16-pentaen-4-yl]prop-1-enyl]-4-methoxyiminobut-2-enamide.

Molecular Properties

Compound Name(Z,4E)-N-[(E)-3-[(4S,6S,8R,9Z,11E)-17-hydroxy-2-oxo-3,7-dioxatricyclo[11.4.0.06,8]heptadeca-1(13),9,11,14,16-pentaen-4-yl]prop-1-enyl]-4-methoxyiminobut-2-enamide
PubChem CID10070982
Molecular FormulaC23H24N2O6
Molecular Weight424.45 g/mol
Exact Mass424.16
IUPAC Name(Z,4E)-N-[(E)-3-[(4S,6S,8R,9Z,11E)-17-hydroxy-2-oxo-3,7-dioxatricyclo[11.4.0.06,8]heptadeca-1(13),9,11,14,16-pentaen-4-yl]prop-1-enyl]-4-methoxyiminobut-2-enamide
SMILESCO/N=C/C=C\C(=O)N/C=C/C[C@H]1C[C@@H]2O[C@@H]2/C=C\C=C\c2cccc(O)c2C(=O)O1
InChIInChI=1S/C23H24N2O6/c1-29-25-14-6-12-21(27)24-13-5-9-17-15-20-19(31-20)11-3-2-7-16-8-4-10-18(26)22(16)23(28)30-17/h2-8,10-14,17,19-20,26H,9,15H2,1H3,(H,24,27)/b7-2+,11-3-,12-6-,13-5+,25-14+/t17-,19+,20-/m0/s1
InChIKeyAHOWOFTYCJCPEK-SESCTWRFSA-N
XLogP2.87
TPSA109.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (Z,4E)-N-[(E)-3-[(4S,6S,8R,9Z,11E)-17-hydroxy-2-oxo-3,7-dioxatricyclo[11.4.0.06,8]heptadeca-1(13),9,11,14,16-pentaen-4-yl]prop-1-enyl]-4-methoxyiminobut-2-enamide with MolForge

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Related Compounds

Salicylihalamide A
CID 643725
Saliphenylhalamide
CID 11271117
(-)-Apicularen A
CID 10718000
Salicylihalamide B
CID 11442012
(2Z,4Z)-N-[(Z)-3-[(1S,11S,13R,15R)-7,15-dihydroxy-9-oxo-10,17-dioxatricyclo[11.3.1.03,8]heptadeca-3(8),4,6-trien-11-yl]prop-1-enyl]hepta-2,4-dienamide
CID 44403722
4-19F-Salicylihalamide A
CID 25209353
Apicularen A
CID 9846140
[(1S,11S,13S,15R)-11-[(E)-3-[[(2Z,4Z)-hepta-2,4-dienoyl]amino]prop-2-enyl]-7-hydroxy-9-oxo-10,17-dioxatricyclo[11.3.1.03,8]heptadeca-3(8),4,6-trien-15-yl] acetate
CID 11454524
4-19F-Salicylihalamide B
CID 25209702
N-[(E)-3-[(4S,6S,9E)-6,16-dihydroxy-2-oxo-3-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraen-4-yl]prop-1-enyl]-3-phenylprop-2-ynamide
CID 122192744
(2Z,4Z)-N-[(E)-3-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)prop-1-enyl]hepta-2,4-dienamide
CID 24878848
Lobatamide A
CID 10505925

Frequently Asked Questions

What is the IUPAC name of (Z,4E)-N-[(E)-3-[(4S,6S,8R,9Z,11E)-17-hydroxy-2-oxo-3,7-dioxatricyclo[11.4.0.06,8]heptadeca-1(13),9,11,14,16-pentaen-4-yl]prop-1-enyl]-4-methoxyiminobut-2-enamide?
The IUPAC name of (Z,4E)-N-[(E)-3-[(4S,6S,8R,9Z,11E)-17-hydroxy-2-oxo-3,7-dioxatricyclo[11.4.0.06,8]heptadeca-1(13),9,11,14,16-pentaen-4-yl]prop-1-enyl]-4-methoxyiminobut-2-enamide (CID 10070982) is (Z,4E)-N-[(E)-3-[(4S,6S,8R,9Z,11E)-17-hydroxy-2-oxo-3,7-dioxatricyclo[11.4.0.06,8]heptadeca-1(13),9,11,14,16-pentaen-4-yl]prop-1-enyl]-4-methoxyiminobut-2-enamide.
What is the SMILES notation for (Z,4E)-N-[(E)-3-[(4S,6S,8R,9Z,11E)-17-hydroxy-2-oxo-3,7-dioxatricyclo[11.4.0.06,8]heptadeca-1(13),9,11,14,16-pentaen-4-yl]prop-1-enyl]-4-methoxyiminobut-2-enamide?
The canonical SMILES for (Z,4E)-N-[(E)-3-[(4S,6S,8R,9Z,11E)-17-hydroxy-2-oxo-3,7-dioxatricyclo[11.4.0.06,8]heptadeca-1(13),9,11,14,16-pentaen-4-yl]prop-1-enyl]-4-methoxyiminobut-2-enamide is CO/N=C/C=C\C(=O)N/C=C/C[C@H]1C[C@@H]2O[C@@H]2/C=C\C=C\c2cccc(O)c2C(=O)O1.
What is the InChIKey of (Z,4E)-N-[(E)-3-[(4S,6S,8R,9Z,11E)-17-hydroxy-2-oxo-3,7-dioxatricyclo[11.4.0.06,8]heptadeca-1(13),9,11,14,16-pentaen-4-yl]prop-1-enyl]-4-methoxyiminobut-2-enamide?
The InChIKey is AHOWOFTYCJCPEK-SESCTWRFSA-N. The full InChI is InChI=1S/C23H24N2O6/c1-29-25-14-6-12-21(27)24-13-5-9-17-15-20-19(31-20)11-3-2-7-16-8-4-10-18(26)22(16)23(28)30-17/h2-8,10-14,17,19-20,26H,9,15H2,1H3,(H,24,27)/b7-2+,11-3-,12-6-,13-5+,25-14+/t17-,19+,20-/m0/s1.
What are the key properties of (Z,4E)-N-[(E)-3-[(4S,6S,8R,9Z,11E)-17-hydroxy-2-oxo-3,7-dioxatricyclo[11.4.0.06,8]heptadeca-1(13),9,11,14,16-pentaen-4-yl]prop-1-enyl]-4-methoxyiminobut-2-enamide?
(Z,4E)-N-[(E)-3-[(4S,6S,8R,9Z,11E)-17-hydroxy-2-oxo-3,7-dioxatricyclo[11.4.0.06,8]heptadeca-1(13),9,11,14,16-pentaen-4-yl]prop-1-enyl]-4-methoxyiminobut-2-enamide has a molecular weight of 424.45 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4E)-N-[(E)-3-[(4S,6S,8R,9Z,11E)-17-hydroxy-2-oxo-3,7-dioxatricyclo[11.4.0.06,8]heptadeca-1(13),9,11,14,16-pentaen-4-yl]prop-1-enyl]-4-methoxyiminobut-2-enamide is sourced from PubChem (CID 10070982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).