NP-MRD: Showing NP-Card for 4,5-dimethoxy-2-oxa-11-azatetracyclo[8.7.1.0³,⁸.0¹⁴,¹⁸]octadeca-1(17),3,5,7,10(18),11,13,15-octaen-17-ol (NP0272436)

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Record Information

Version

2.0

Created at

2022-09-08 19:03:48 UTC

Updated at

2022-09-08 19:03:48 UTC

NP-MRD ID

NP0272436

Secondary Accession Numbers

None

Natural Product Identification

Common Name

4,5-dimethoxy-2-oxa-11-azatetracyclo[8.7.1.0³,⁸.0¹⁴,¹⁸]octadeca-1(17),3,5,7,10(18),11,13,15-octaen-17-ol

Description

Oxosarcophylline belongs to the class of organic compounds known as dibenzoxepines. Dibenzoxepines are compounds containing a dibenzoxepine moiety, which consists of two benzene connected by an oxazepine ring. 4,5-dimethoxy-2-oxa-11-azatetracyclo[8.7.1.0³,⁸.0¹⁴,¹⁸]octadeca-1(17),3,5,7,10(18),11,13,15-octaen-17-ol is found in Sarcocapnos baetica, Sarcocapnos crassifolia and Sarcocapnos enneaphylla. Based on a literature review very few articles have been published on Oxosarcophylline.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 38 41  0  0  0  0  0  0  0  0999 V2000
    5.4152   -0.9638    0.1217 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3344   -0.0311    0.2544 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0478   -0.4758    0.3944 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7786   -1.8306    0.4090 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4786   -2.2411    0.5510 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4155   -1.3522    0.6813 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7449   -0.0087    0.6596 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0317    0.4555    0.5199 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3400    1.7921    0.5006 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3820    2.5665   -0.6940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1711    1.0080    0.7746 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5263    1.0004    0.3895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9493    2.3015    0.1762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0814    3.3847    0.3465 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2342    2.6052   -0.2116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0847    1.5400   -0.3782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7062    0.2206   -0.1763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6444   -0.7775   -0.3718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2688   -2.0818   -0.1708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0124   -2.3510    0.2068 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625   -1.4039    0.4094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4061   -0.0678    0.2150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8252   -2.0882    0.8163 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2271   -1.6070   -0.7535 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4230   -1.5571    1.0734 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3755   -0.4473    0.0287 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6130   -2.5256    0.3068 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2902   -3.3133    0.5598 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4241    2.6003   -1.0569 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0730    3.5947   -0.4084 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6939    2.0990   -1.4202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1098    3.2630    0.6321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5363    3.6307   -0.3708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1089    1.7614   -0.6860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6352   -0.4872   -0.6752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0193   -2.8428   -0.3300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7533   -3.0225    0.2190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9529   -2.3472    1.9090 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6 23  1  0
 23 21  1  0
 21 20  1  0
 20 19  2  0
 19 18  1  0
 18 17  2  0
 17 16  1  0
 16 15  2  0
 15 13  1  0
 13 14  1  0
 13 12  2  0
 12 11  1  0
 11  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 12 22  1  0
  8  3  1  0
  7  6  1  0
 22 21  2  0
 22 17  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  4 27  1  0
  5 28  1  0
 23 37  1  0
 23 38  1  0
 19 36  1  0
 18 35  1  0
 16 34  1  0
 15 33  1  0
 14 32  1  0
 10 29  1  0
 10 30  1  0
 10 31  1  0
M  END


  Mrv1652309082221032D          

 23 26  0  0  0  0            999 V2000
    5.9592    0.4873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3545   -0.0738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5661    0.1693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3825    0.9736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5942    1.2168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9894    0.6557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1730   -0.1486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9613   -0.3918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1449   -1.1961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9333   -1.4393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6586   -0.7937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8336   -0.7937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7404   -1.5141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3714   -2.0457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9521   -1.7573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3473   -1.1961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5309   -0.3918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0739    0.1693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1097    0.9736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8981    1.2168    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5028    0.6557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3192   -0.1486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2461    1.0136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 12 22  2  0  0  0  0
 17 22  1  0  0  0  0
 21 23  1  0  0  0  0
  6 23  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0272436

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC=C2CC3=NC=CC4=CC=C(O)C(OC2=C1OC)=C34

> <INCHI_IDENTIFIER>
InChI=1S/C18H15NO4/c1-21-14-6-4-11-9-12-15-10(7-8-19-12)3-5-13(20)17(15)23-16(11)18(14)22-2/h3-8,20H,9H2,1-2H3

> <INCHI_KEY>
KXPWCIFCBKXPIQ-UHFFFAOYSA-N

> <FORMULA>
C18H15NO4

> <MOLECULAR_WEIGHT>
309.321

> <EXACT_MASS>
309.100107967

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
38

> <JCHEM_AVERAGE_POLARIZABILITY>
31.675486047140602

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
4,5-dimethoxy-2-oxa-11-azatetracyclo[8.7.1.0^{3,8}.0^{14,18}]octadeca-1(18),3,5,7,10,12,14,16-octaen-17-ol

> <JCHEM_LOGP>
2.6188936483333327

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.919771384976571

> <JCHEM_PKA_STRONGEST_BASIC>
5.488868429219969

> <JCHEM_POLAR_SURFACE_AREA>
60.81

> <JCHEM_REFRACTIVITY>
84.75479999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
4,5-dimethoxy-2-oxa-11-azatetracyclo[8.7.1.0^{3,8}.0^{14,18}]octadeca-1(18),3,5,7,10,12,14,16-octaen-17-ol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 08-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-SEP-22         0                                  
HETATM    1  C   UNK     0      11.124   0.910   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       9.995  -0.138   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       8.523   0.316   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       8.181   1.817   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       6.709   2.271   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.580   1.224   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.923  -0.277   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       7.395  -0.731   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       7.737  -2.233   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       9.209  -2.687   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       4.963  -1.481   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       3.423  -1.481   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       3.249  -2.826   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       4.427  -3.819   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       1.777  -3.280   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.648  -2.233   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.991  -0.731   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -0.138   0.316   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       0.205   1.817   0.000  0.00  0.00           C+0
HETATM   20  N   UNK     0       1.676   2.271   0.000  0.00  0.00           N+0
HETATM   21  C   UNK     0       2.805   1.224   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.463  -0.277   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       4.193   1.892   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    8                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   23                                                  
CONECT    7    6    8   11                                                  
CONECT    8    7    3    9                                                  
CONECT    9    8   10                                                       
CONECT   10    9                                                            
CONECT   11    7   12                                                       
CONECT   12   11   13   22                                                  
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   22                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22   23                                                  
CONECT   22   21   12   17                                                  
CONECT   23   21    6                                                       
MASTER        0    0    0    0    0    0    0    0   23    0   52    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₈H₁₅NO₄

Average Mass

309.3210 Da

Monoisotopic Mass

309.10011 Da

IUPAC Name

4,5-dimethoxy-2-oxa-11-azatetracyclo[8.7.1.0^{3,8}.0^{14,18}]octadeca-1(18),3,5,7,10,12,14,16-octaen-17-ol

Traditional Name

4,5-dimethoxy-2-oxa-11-azatetracyclo[8.7.1.0^{3,8}.0^{14,18}]octadeca-1(18),3,5,7,10,12,14,16-octaen-17-ol

CAS Registry Number

Not Available

SMILES

COC1=CC=C2CC3=NC=CC4=CC=C(O)C(OC2=C1OC)=C34

InChI Identifier

InChI=1S/C18H15NO4/c1-21-14-6-4-11-9-12-15-10(7-8-19-12)3-5-13(20)17(15)23-16(11)18(14)22-2/h3-8,20H,9H2,1-2H3

InChI Key

KXPWCIFCBKXPIQ-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Sarcocapnos baetica	LOTUS Database	35616633
Sarcocapnos crassifolia	LOTUS Database	35616633
Sarcocapnos enneaphylla	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as dibenzoxepines. Dibenzoxepines are compounds containing a dibenzoxepine moiety, which consists of two benzene connected by an oxazepine ring.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Benzoxepines

Sub Class

Dibenzoxepines

Direct Parent

Dibenzoxepines

Alternative Parents

Substituents

Dibenzoxepine
Diaryl ether
Isoquinoline
Anisole
Phenol ether
Alkyl aryl ether
1-hydroxy-2-unsubstituted benzenoid
Phenol
Benzenoid
Pyridine
Heteroaromatic compound
Oxacycle
Ether
Azacycle
Organooxygen compound
Organonitrogen compound
Organic nitrogen compound
Hydrocarbon derivative
Organic oxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	2.62	ChemAxon
pKa (Strongest Acidic)	7.92	ChemAxon
pKa (Strongest Basic)	5.49	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	60.81 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	84.75 m³·mol⁻¹	ChemAxon
Polarizability	31.68 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00024776

Chemspider ID

23327498

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

44559881

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 4,5-dimethoxy-2-oxa-11-azatetracyclo[8.7.1.0³,⁸.0¹⁴,¹⁸]octadeca-1(17),3,5,7,10(18),11,13,15-octaen-17-ol (NP0272436)

MOL for NP0272436 (4,5-dimethoxy-2-oxa-11-azatetracyclo[8.7.1.0³,⁸.0¹⁴,¹⁸]octadeca-1(17),3,5,7,10(18),11,13,15-octaen-17-ol)

3D MOL for NP0272436 (4,5-dimethoxy-2-oxa-11-azatetracyclo[8.7.1.0³,⁸.0¹⁴,¹⁸]octadeca-1(17),3,5,7,10(18),11,13,15-octaen-17-ol)

3D SDF for NP0272436 (4,5-dimethoxy-2-oxa-11-azatetracyclo[8.7.1.0³,⁸.0¹⁴,¹⁸]octadeca-1(17),3,5,7,10(18),11,13,15-octaen-17-ol)

3D-SDF for NP0272436 (4,5-dimethoxy-2-oxa-11-azatetracyclo[8.7.1.0³,⁸.0¹⁴,¹⁸]octadeca-1(17),3,5,7,10(18),11,13,15-octaen-17-ol)

PDB for NP0272436 (4,5-dimethoxy-2-oxa-11-azatetracyclo[8.7.1.0³,⁸.0¹⁴,¹⁸]octadeca-1(17),3,5,7,10(18),11,13,15-octaen-17-ol)

3D PDB for NP0272436 (4,5-dimethoxy-2-oxa-11-azatetracyclo[8.7.1.0³,⁸.0¹⁴,¹⁸]octadeca-1(17),3,5,7,10(18),11,13,15-octaen-17-ol)

SMILES for NP0272436 (4,5-dimethoxy-2-oxa-11-azatetracyclo[8.7.1.0³,⁸.0¹⁴,¹⁸]octadeca-1(17),3,5,7,10(18),11,13,15-octaen-17-ol)

INCHI for NP0272436 (4,5-dimethoxy-2-oxa-11-azatetracyclo[8.7.1.0³,⁸.0¹⁴,¹⁸]octadeca-1(17),3,5,7,10(18),11,13,15-octaen-17-ol)

Structure for NP0272436 (4,5-dimethoxy-2-oxa-11-azatetracyclo[8.7.1.0³,⁸.0¹⁴,¹⁸]octadeca-1(17),3,5,7,10(18),11,13,15-octaen-17-ol)

3D Structure for NP0272436 (4,5-dimethoxy-2-oxa-11-azatetracyclo[8.7.1.0³,⁸.0¹⁴,¹⁸]octadeca-1(17),3,5,7,10(18),11,13,15-octaen-17-ol)