(1R,6R,8R,11S,23R,24R,25S)-16-hydroxy-17-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15(20),16,18-triene-13,21-dione

C23H26N2O6 — CID 162932556

IUPAC(1R,6R,8R,11S,23R,24R,25S)-16-hydroxy-17-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15(20),16,18-triene-13,21-dione
SMILESCOc1ccc2c(c1O)N1C(=O)C[C@@H]3OC[C@H]4O[C@]45CN(C)CC[C@@]24C(=O)C[C@@H]5[C@@H]3[C@H]14
InChIInChI=1S/C23H26N2O6/c1-24-6-5-22-11-3-4-13(29-2)20(28)19(11)25-17(27)8-14-18(21(22)25)12(7-15(22)26)23(10-24)16(31-23)9-30-14/h3-4,12,14,16,18,21,28H,5-10H2,1-2H3/t12-,14+,16-,18+,21+,22+,23+/m1/s1
InChIKeyPVYMRWMCZVLLGM-AIAFXLGSSA-N
MW426.47 g/mol
LogP0.83
Rot. Bonds1

About (1R,6R,8R,11S,23R,24R,25S)-16-hydroxy-17-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15(20),16,18-triene-13,21-dione

(1R,6R,8R,11S,23R,24R,25S)-16-hydroxy-17-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15(20),16,18-triene-13,21-dione (PubChem CID 162932556) has the molecular formula C23H26N2O6 and a molecular weight of 426.47 g/mol. Its IUPAC name is (1R,6R,8R,11S,23R,24R,25S)-16-hydroxy-17-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15(20),16,18-triene-13,21-dione.

Molecular Properties

Compound Name(1R,6R,8R,11S,23R,24R,25S)-16-hydroxy-17-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15(20),16,18-triene-13,21-dione
PubChem CID162932556
Molecular FormulaC23H26N2O6
Molecular Weight426.47 g/mol
Exact Mass426.18
IUPAC Name(1R,6R,8R,11S,23R,24R,25S)-16-hydroxy-17-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15(20),16,18-triene-13,21-dione
SMILESCOc1ccc2c(c1O)N1C(=O)C[C@@H]3OC[C@H]4O[C@]45CN(C)CC[C@@]24C(=O)C[C@@H]5[C@@H]3[C@H]14
InChIInChI=1S/C23H26N2O6/c1-24-6-5-22-11-3-4-13(29-2)20(28)19(11)25-17(27)8-14-18(21(22)25)12(7-15(22)26)23(10-24)16(31-23)9-30-14/h3-4,12,14,16,18,21,28H,5-10H2,1-2H3/t12-,14+,16-,18+,21+,22+,23+/m1/s1
InChIKeyPVYMRWMCZVLLGM-AIAFXLGSSA-N
XLogP0.83
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (1R,6R,8R,11S,23R,24R,25S)-16-hydroxy-17-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15(20),16,18-triene-13,21-dione with MolForge

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Related Compounds

(1S,6R,8R,11R,23R,24R,25S)-16,17-dimethoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15(20),16,18-triene-13,21-dione
CID 162940582
(1R,6R,8R,11S,23R,24R,25S)-16-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15(20),16,18-triene-13,21-dione
CID 163012788
16,23-dihydroxy-17-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-11,15(20),16,18-tetraene-13,21-dione
CID 162974797
(1S,9S,10R,13R,14S,21R)-8-acetyl-6-hydroxy-5-methoxy-13,16-dimethyl-12-oxa-8,16-diazapentacyclo[8.8.3.01,9.02,7.014,21]henicosa-2(7),3,5-trien-19-one
CID 162993815
23-hydroxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15,17,19-triene-13,21-dione
CID 633892
(3R,4aR,5aS,8aR,15aS,15bR)-3,4-dihydroxy-10,11-dimethoxy-2,3,4a,5,5a,7,8,13a,15,15a,15b,16-dodecahydro4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one
CID 134963219
(1R,3'S,9R,11R,18S)-8-acetyl-6-hydroxy-5-methoxy-3',14-dimethylspiro[8,14-diazatetracyclo[9.5.2.01,9.02,7]octadeca-2(7),3,5-triene-18,2'-oxirane]-17-one
CID 162865710
(1R,9S,10S)-3-hydroxy-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one
CID 5456918
(1S,9S,10S,12R)-12-ethyl-3-hydroxy-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one
CID 98474963
(1S,9S,10S,13R)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-3,13-diol
CID 98474905
(1R,9S,10R,12S)-3-hydroxy-4,12-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one
CID 10359352
3-hydroxy-4-methoxy-14-methyl-14-azatetracyclo[8.6.0.01,13.02,7]hexadeca-2(7),3,5,8,10-pentaen-12-one
CID 74941880

Frequently Asked Questions

What is the IUPAC name of (1R,6R,8R,11S,23R,24R,25S)-16-hydroxy-17-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15(20),16,18-triene-13,21-dione?
The IUPAC name of (1R,6R,8R,11S,23R,24R,25S)-16-hydroxy-17-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15(20),16,18-triene-13,21-dione (CID 162932556) is (1R,6R,8R,11S,23R,24R,25S)-16-hydroxy-17-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15(20),16,18-triene-13,21-dione.
What is the SMILES notation for (1R,6R,8R,11S,23R,24R,25S)-16-hydroxy-17-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15(20),16,18-triene-13,21-dione?
The canonical SMILES for (1R,6R,8R,11S,23R,24R,25S)-16-hydroxy-17-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15(20),16,18-triene-13,21-dione is COc1ccc2c(c1O)N1C(=O)C[C@@H]3OC[C@H]4O[C@]45CN(C)CC[C@@]24C(=O)C[C@@H]5[C@@H]3[C@H]14.
What is the InChIKey of (1R,6R,8R,11S,23R,24R,25S)-16-hydroxy-17-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15(20),16,18-triene-13,21-dione?
The InChIKey is PVYMRWMCZVLLGM-AIAFXLGSSA-N. The full InChI is InChI=1S/C23H26N2O6/c1-24-6-5-22-11-3-4-13(29-2)20(28)19(11)25-17(27)8-14-18(21(22)25)12(7-15(22)26)23(10-24)16(31-23)9-30-14/h3-4,12,14,16,18,21,28H,5-10H2,1-2H3/t12-,14+,16-,18+,21+,22+,23+/m1/s1.
What are the key properties of (1R,6R,8R,11S,23R,24R,25S)-16-hydroxy-17-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15(20),16,18-triene-13,21-dione?
(1R,6R,8R,11S,23R,24R,25S)-16-hydroxy-17-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15(20),16,18-triene-13,21-dione has a molecular weight of 426.47 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R,8R,11S,23R,24R,25S)-16-hydroxy-17-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15(20),16,18-triene-13,21-dione is sourced from PubChem (CID 162932556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).