(1R,5R,6S)-11-methoxy-14-methyl-6-(methylamino)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-5-ol

C17H23NO3 — CID 134525959

IUPAC(1R,5R,6S)-11-methoxy-14-methyl-6-(methylamino)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-5-ol
SMILESCN[C@H]1Cc2ccc(OC)c3c2C2(C)[C@@H](CCC[C@]12O)O3
InChIInChI=1S/C17H23NO3/c1-16-13-5-4-8-17(16,19)12(18-2)9-10-6-7-11(20-3)15(21-13)14(10)16/h6-7,12-13,18-19H,4-5,8-9H2,1-3H3/t12-,13+,16?,17-/m0/s1
InChIKeyHMDKTAPBYFGZLZ-BHZYAJLCSA-N
MW289.37 g/mol
LogP1.77
Rot. Bonds2

About (1R,5R,6S)-11-methoxy-14-methyl-6-(methylamino)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-5-ol

(1R,5R,6S)-11-methoxy-14-methyl-6-(methylamino)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-5-ol (PubChem CID 134525959) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is (1R,5R,6S)-11-methoxy-14-methyl-6-(methylamino)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-5-ol.

Molecular Properties

Compound Name(1R,5R,6S)-11-methoxy-14-methyl-6-(methylamino)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-5-ol
PubChem CID134525959
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name(1R,5R,6S)-11-methoxy-14-methyl-6-(methylamino)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-5-ol
SMILESCN[C@H]1Cc2ccc(OC)c3c2C2(C)[C@@H](CCC[C@]12O)O3
InChIInChI=1S/C17H23NO3/c1-16-13-5-4-8-17(16,19)12(18-2)9-10-6-7-11(20-3)15(21-13)14(10)16/h6-7,12-13,18-19H,4-5,8-9H2,1-3H3/t12-,13+,16?,17-/m0/s1
InChIKeyHMDKTAPBYFGZLZ-BHZYAJLCSA-N
XLogP1.77
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R,5R,6S)-11-methoxy-14-methyl-6-(methylamino)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-5-ol with MolForge

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Related Compounds

(4aR,7aR,12bR)-3-(cyclopropylmethyl)-9-methoxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-ol
CID 146648848
(1R,5R,6S)-11-methoxy-14-methyl-2-methylidene-6-(prop-2-enylamino)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-5-ol
CID 134526025
2-amino-11-methoxy-6-(methylamino)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-5-ol
CID 123198433
(4R,4aS,7aS,12bS)-9-methoxy-3-methyl-1,2,4,7,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-ol
CID 22295938
9-methoxy-3-methyl-1,2,4,7,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-ol
CID 626987
(4R,4aR,7aS,12bS)-9-methoxy-3-(trideuteriomethyl)-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline
CID 169437794
(1S,5R,13R)-17-hydroxy-10-methoxy-12-oxapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraen-14-one
CID 134454196
(4R,4aS,7S,7aR,12bS)-9-methoxy-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7-diol;hydrochloride
CID 91758321
(4S,12bS)-3-(cyclopropylmethyl)-9-methoxy-7-(methylamino)-1,2,4,7,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-ol
CID 59965599
(5S,14S)-5-hydroxy-11-methoxy-14-methyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-3,8(13),9,11-tetraen-2-one
CID 129234880
(4S,4aR,7aS,12bR)-3-(cyclobutylmethyl)-9-methoxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7-diol
CID 118533845
(4R,14R)-4-amino-9-methoxy-11-oxatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ol
CID 58783277

Frequently Asked Questions

What is the IUPAC name of (1R,5R,6S)-11-methoxy-14-methyl-6-(methylamino)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-5-ol?
The IUPAC name of (1R,5R,6S)-11-methoxy-14-methyl-6-(methylamino)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-5-ol (CID 134525959) is (1R,5R,6S)-11-methoxy-14-methyl-6-(methylamino)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-5-ol.
What is the SMILES notation for (1R,5R,6S)-11-methoxy-14-methyl-6-(methylamino)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-5-ol?
The canonical SMILES for (1R,5R,6S)-11-methoxy-14-methyl-6-(methylamino)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-5-ol is CN[C@H]1Cc2ccc(OC)c3c2C2(C)[C@@H](CCC[C@]12O)O3.
What is the InChIKey of (1R,5R,6S)-11-methoxy-14-methyl-6-(methylamino)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-5-ol?
The InChIKey is HMDKTAPBYFGZLZ-BHZYAJLCSA-N. The full InChI is InChI=1S/C17H23NO3/c1-16-13-5-4-8-17(16,19)12(18-2)9-10-6-7-11(20-3)15(21-13)14(10)16/h6-7,12-13,18-19H,4-5,8-9H2,1-3H3/t12-,13+,16?,17-/m0/s1.
What are the key properties of (1R,5R,6S)-11-methoxy-14-methyl-6-(methylamino)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-5-ol?
(1R,5R,6S)-11-methoxy-14-methyl-6-(methylamino)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-5-ol has a molecular weight of 289.37 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,6S)-11-methoxy-14-methyl-6-(methylamino)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-5-ol is sourced from PubChem (CID 134525959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).