(10S)-17-hydroxy-3,4,5,16-tetramethoxy-11-methyl-11-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(18),2,4,6,14,16-hexaen-13-one

C22H25NO6 — CID 70683790

IUPAC(10S)-17-hydroxy-3,4,5,16-tetramethoxy-11-methyl-11-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(18),2,4,6,14,16-hexaen-13-one
SMILESCOc1cc2c3c(c1O)-c1c(cc(OC)c(OC)c1OC)CC[C@@H]3N(C)CC2=O
InChIInChI=1S/C22H25NO6/c1-23-10-14(24)12-9-15(26-2)20(25)19-17-11(6-7-13(23)18(12)19)8-16(27-3)21(28-4)22(17)29-5/h8-9,13,25H,6-7,10H2,1-5H3/t13-/m0/s1
InChIKeyNJPPDFNBRLXOQD-ZDUSSCGKSA-N
MW399.44 g/mol
LogP3.21
Rot. Bonds4

About (10S)-17-hydroxy-3,4,5,16-tetramethoxy-11-methyl-11-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(18),2,4,6,14,16-hexaen-13-one

(10S)-17-hydroxy-3,4,5,16-tetramethoxy-11-methyl-11-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(18),2,4,6,14,16-hexaen-13-one (PubChem CID 70683790) has the molecular formula C22H25NO6 and a molecular weight of 399.44 g/mol. Its IUPAC name is (10S)-17-hydroxy-3,4,5,16-tetramethoxy-11-methyl-11-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(18),2,4,6,14,16-hexaen-13-one.

Molecular Properties

Compound Name(10S)-17-hydroxy-3,4,5,16-tetramethoxy-11-methyl-11-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(18),2,4,6,14,16-hexaen-13-one
PubChem CID70683790
Molecular FormulaC22H25NO6
Molecular Weight399.44 g/mol
Exact Mass399.17
IUPAC Name(10S)-17-hydroxy-3,4,5,16-tetramethoxy-11-methyl-11-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(18),2,4,6,14,16-hexaen-13-one
SMILESCOc1cc2c3c(c1O)-c1c(cc(OC)c(OC)c1OC)CC[C@@H]3N(C)CC2=O
InChIInChI=1S/C22H25NO6/c1-23-10-14(24)12-9-15(26-2)20(25)19-17-11(6-7-13(23)18(12)19)8-16(27-3)21(28-4)22(17)29-5/h8-9,13,25H,6-7,10H2,1-5H3/t13-/m0/s1
InChIKeyNJPPDFNBRLXOQD-ZDUSSCGKSA-N
XLogP3.21
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (10S)-17-hydroxy-3,4,5,16-tetramethoxy-11-methyl-11-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(18),2,4,6,14,16-hexaen-13-one with MolForge

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Related Compounds

7-hydroxy-2,3,4-trimethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 71271654
3,4-dimethoxy-11,16-dimethyl-11-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2,4,6,14(18),15-hexaene-5,17-diol
CID 162988763
(8R)-5,13,14,15-tetramethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-8-ol
CID 24754568
(5-methoxy-1-methyl-7-oxo-3,8,9,9a-tetrahydro-2H-benzo[de]quinolin-6-yl) benzoate
CID 45117773
3,5,6,7-tetramethoxy-9,10-dihydrophenanthren-2-ol
CID 14049974
7-hydroxy-1,2,3-trimethoxy-10-methylsulfanyl-6,7-dihydro-5H-benzo[a]heptalen-9-one
CID 633058
7-(dimethylamino)-10-hydroxy-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one
CID 632895
N-(6-hydroxy-5,13,14,15-tetramethoxy-8-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)acetamide
CID 11188363
(3-hydroxy-8,13,14,15-tetramethoxy-4-propyl-6-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenyl) acetate
CID 11327880
(8S)-6-ethoxy-8,13,14,15-tetramethoxy-4-propyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-3-ol
CID 101186647
N-[(10S)-3,4,5,14,16-pentamethoxy-15-oxo-11-oxatricyclo[10.5.0.02,7]heptadeca-1(12),2,4,6,13,16-hexaen-10-yl]acetamide
CID 10599452
9-bromo-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol
CID 20556264

Frequently Asked Questions

What is the IUPAC name of (10S)-17-hydroxy-3,4,5,16-tetramethoxy-11-methyl-11-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(18),2,4,6,14,16-hexaen-13-one?
The IUPAC name of (10S)-17-hydroxy-3,4,5,16-tetramethoxy-11-methyl-11-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(18),2,4,6,14,16-hexaen-13-one (CID 70683790) is (10S)-17-hydroxy-3,4,5,16-tetramethoxy-11-methyl-11-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(18),2,4,6,14,16-hexaen-13-one.
What is the SMILES notation for (10S)-17-hydroxy-3,4,5,16-tetramethoxy-11-methyl-11-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(18),2,4,6,14,16-hexaen-13-one?
The canonical SMILES for (10S)-17-hydroxy-3,4,5,16-tetramethoxy-11-methyl-11-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(18),2,4,6,14,16-hexaen-13-one is COc1cc2c3c(c1O)-c1c(cc(OC)c(OC)c1OC)CC[C@@H]3N(C)CC2=O.
What is the InChIKey of (10S)-17-hydroxy-3,4,5,16-tetramethoxy-11-methyl-11-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(18),2,4,6,14,16-hexaen-13-one?
The InChIKey is NJPPDFNBRLXOQD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C22H25NO6/c1-23-10-14(24)12-9-15(26-2)20(25)19-17-11(6-7-13(23)18(12)19)8-16(27-3)21(28-4)22(17)29-5/h8-9,13,25H,6-7,10H2,1-5H3/t13-/m0/s1.
What are the key properties of (10S)-17-hydroxy-3,4,5,16-tetramethoxy-11-methyl-11-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(18),2,4,6,14,16-hexaen-13-one?
(10S)-17-hydroxy-3,4,5,16-tetramethoxy-11-methyl-11-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(18),2,4,6,14,16-hexaen-13-one has a molecular weight of 399.44 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (10S)-17-hydroxy-3,4,5,16-tetramethoxy-11-methyl-11-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(18),2,4,6,14,16-hexaen-13-one is sourced from PubChem (CID 70683790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).