(10S,11R,12R,13S,14R)-10,11-dihydroxy-8-methoxy-14-(4-methoxyphenyl)-N,N-dimethyl-13-phenyl-4,6,15-trioxatetracyclo[7.6.0.03,7.010,14]pentadeca-1,3(7),8-triene-12-carboxamide

C29H29NO8 — CID 15450360

IUPAC(10S,11R,12R,13S,14R)-10,11-dihydroxy-8-methoxy-14-(4-methoxyphenyl)-N,N-dimethyl-13-phenyl-4,6,15-trioxatetracyclo[7.6.0.03,7.010,14]pentadeca-1,3(7),8-triene-12-carboxamide
SMILESCOc1ccc([C@@]23Oc4cc5c(c(OC)c4[C@]2(O)[C@H](O)[C@H](C(=O)N(C)C)[C@H]3c2ccccc2)OCO5)cc1
InChIInChI=1S/C29H29NO8/c1-30(2)27(32)21-22(16-8-6-5-7-9-16)29(17-10-12-18(34-3)13-11-17)28(33,26(21)31)23-19(38-29)14-20-24(25(23)35-4)37-15-36-20/h5-14,21-22,26,31,33H,15H2,1-4H3/t21-,22-,26-,28+,29+/m1/s1
InChIKeyVBEWJSMISIWDQM-NPWWZGLVSA-N
MW519.55 g/mol
LogP2.77
Rot. Bonds5

About (10S,11R,12R,13S,14R)-10,11-dihydroxy-8-methoxy-14-(4-methoxyphenyl)-N,N-dimethyl-13-phenyl-4,6,15-trioxatetracyclo[7.6.0.03,7.010,14]pentadeca-1,3(7),8-triene-12-carboxamide

(10S,11R,12R,13S,14R)-10,11-dihydroxy-8-methoxy-14-(4-methoxyphenyl)-N,N-dimethyl-13-phenyl-4,6,15-trioxatetracyclo[7.6.0.03,7.010,14]pentadeca-1,3(7),8-triene-12-carboxamide (PubChem CID 15450360) has the molecular formula C29H29NO8 and a molecular weight of 519.55 g/mol. Its IUPAC name is (10S,11R,12R,13S,14R)-10,11-dihydroxy-8-methoxy-14-(4-methoxyphenyl)-N,N-dimethyl-13-phenyl-4,6,15-trioxatetracyclo[7.6.0.03,7.010,14]pentadeca-1,3(7),8-triene-12-carboxamide.

Molecular Properties

Compound Name(10S,11R,12R,13S,14R)-10,11-dihydroxy-8-methoxy-14-(4-methoxyphenyl)-N,N-dimethyl-13-phenyl-4,6,15-trioxatetracyclo[7.6.0.03,7.010,14]pentadeca-1,3(7),8-triene-12-carboxamide
PubChem CID15450360
Molecular FormulaC29H29NO8
Molecular Weight519.55 g/mol
Exact Mass519.19
IUPAC Name(10S,11R,12R,13S,14R)-10,11-dihydroxy-8-methoxy-14-(4-methoxyphenyl)-N,N-dimethyl-13-phenyl-4,6,15-trioxatetracyclo[7.6.0.03,7.010,14]pentadeca-1,3(7),8-triene-12-carboxamide
SMILESCOc1ccc([C@@]23Oc4cc5c(c(OC)c4[C@]2(O)[C@H](O)[C@H](C(=O)N(C)C)[C@H]3c2ccccc2)OCO5)cc1
InChIInChI=1S/C29H29NO8/c1-30(2)27(32)21-22(16-8-6-5-7-9-16)29(17-10-12-18(34-3)13-11-17)28(33,26(21)31)23-19(38-29)14-20-24(25(23)35-4)37-15-36-20/h5-14,21-22,26,31,33H,15H2,1-4H3/t21-,22-,26-,28+,29+/m1/s1
InChIKeyVBEWJSMISIWDQM-NPWWZGLVSA-N
XLogP2.77
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.55
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (10S,11R,12R,13S,14R)-10,11-dihydroxy-8-methoxy-14-(4-methoxyphenyl)-N,N-dimethyl-13-phenyl-4,6,15-trioxatetracyclo[7.6.0.03,7.010,14]pentadeca-1,3(7),8-triene-12-carboxamide 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 (10S,11R,12R,13S,14R)-10,11-dihydroxy-8-methoxy-14-(4-methoxyphenyl)-N,N-dimethyl-13-phenyl-4,6,15-trioxatetracyclo[7.6.0.03,7.010,14]pentadeca-1,3(7),8-triene-12-carboxamide?
The IUPAC name of (10S,11R,12R,13S,14R)-10,11-dihydroxy-8-methoxy-14-(4-methoxyphenyl)-N,N-dimethyl-13-phenyl-4,6,15-trioxatetracyclo[7.6.0.03,7.010,14]pentadeca-1,3(7),8-triene-12-carboxamide (CID 15450360) is (10S,11R,12R,13S,14R)-10,11-dihydroxy-8-methoxy-14-(4-methoxyphenyl)-N,N-dimethyl-13-phenyl-4,6,15-trioxatetracyclo[7.6.0.03,7.010,14]pentadeca-1,3(7),8-triene-12-carboxamide.
What is the SMILES notation for (10S,11R,12R,13S,14R)-10,11-dihydroxy-8-methoxy-14-(4-methoxyphenyl)-N,N-dimethyl-13-phenyl-4,6,15-trioxatetracyclo[7.6.0.03,7.010,14]pentadeca-1,3(7),8-triene-12-carboxamide?
The canonical SMILES for (10S,11R,12R,13S,14R)-10,11-dihydroxy-8-methoxy-14-(4-methoxyphenyl)-N,N-dimethyl-13-phenyl-4,6,15-trioxatetracyclo[7.6.0.03,7.010,14]pentadeca-1,3(7),8-triene-12-carboxamide is COc1ccc([C@@]23Oc4cc5c(c(OC)c4[C@]2(O)[C@H](O)[C@H](C(=O)N(C)C)[C@H]3c2ccccc2)OCO5)cc1.
What is the InChIKey of (10S,11R,12R,13S,14R)-10,11-dihydroxy-8-methoxy-14-(4-methoxyphenyl)-N,N-dimethyl-13-phenyl-4,6,15-trioxatetracyclo[7.6.0.03,7.010,14]pentadeca-1,3(7),8-triene-12-carboxamide?
The InChIKey is VBEWJSMISIWDQM-NPWWZGLVSA-N. The full InChI is InChI=1S/C29H29NO8/c1-30(2)27(32)21-22(16-8-6-5-7-9-16)29(17-10-12-18(34-3)13-11-17)28(33,26(21)31)23-19(38-29)14-20-24(25(23)35-4)37-15-36-20/h5-14,21-22,26,31,33H,15H2,1-4H3/t21-,22-,26-,28+,29+/m1/s1.
What are the key properties of (10S,11R,12R,13S,14R)-10,11-dihydroxy-8-methoxy-14-(4-methoxyphenyl)-N,N-dimethyl-13-phenyl-4,6,15-trioxatetracyclo[7.6.0.03,7.010,14]pentadeca-1,3(7),8-triene-12-carboxamide?
(10S,11R,12R,13S,14R)-10,11-dihydroxy-8-methoxy-14-(4-methoxyphenyl)-N,N-dimethyl-13-phenyl-4,6,15-trioxatetracyclo[7.6.0.03,7.010,14]pentadeca-1,3(7),8-triene-12-carboxamide has a molecular weight of 519.55 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (10S,11R,12R,13S,14R)-10,11-dihydroxy-8-methoxy-14-(4-methoxyphenyl)-N,N-dimethyl-13-phenyl-4,6,15-trioxatetracyclo[7.6.0.03,7.010,14]pentadeca-1,3(7),8-triene-12-carboxamide is sourced from PubChem (CID 15450360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).