NP-MRD: Showing NP-Card for 2-oxatricyclo[13.2.2.1³,⁷]icosa-1(17),3(20),4,6,15,18-hexaene-4,10-diol (NP0163392)

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Record Information

Version

2.0

Created at

2022-09-02 22:01:04 UTC

Updated at

2022-09-02 22:01:04 UTC

NP-MRD ID

NP0163392

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2-oxatricyclo[13.2.2.1³,⁷]icosa-1(17),3(20),4,6,15,18-hexaene-4,10-diol

Description

SCHEMBL329405 belongs to the class of organic compounds known as meta,para-diphenylether diarylheptanoids. These are cyclic diarylheptanoids where the two benzene rings are linked to each other by an ether group conjugated to the 3-position of one benzene ring and the 4-position of the other ring. 2-oxatricyclo[13.2.2.1³,⁷]icosa-1(17),3(20),4,6,15,18-hexaene-4,10-diol is found in Acer nikoense. SCHEMBL329405 is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 44 46  0  0  0  0  0  0  0  0999 V2000
    3.6480    2.9603    1.2707 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2563    1.7091    0.7955 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9023    0.6160    1.4261 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5326   -0.6277    0.9788 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5927   -0.9146   -0.0360 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0027    0.2074   -0.6297 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3434    1.4744   -0.1839 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6822    2.7070   -0.7263 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1988    2.4487   -0.6046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3579    1.8703   -1.6615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7328    1.4836   -1.6307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4942    1.7004   -0.5293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9028    2.3302    0.5458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5108    2.7135    0.4967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8360    0.9412   -0.3631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5172   -0.4456    0.2176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5291   -1.3240   -0.4866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1110   -1.2802   -0.2008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2301   -2.1580    0.5449 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4272   -1.6077    1.6553 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8177   -2.7522   -0.3524 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2568   -2.3488   -0.1812 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2581    3.8180    0.8981 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6202    0.7727    2.1900 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0501   -1.4628    1.4865 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3845    0.0636   -1.5856 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0920    1.6492   -2.7156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9870    1.0268   -2.6625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2452    2.6771    1.5347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2398    3.2260    1.4454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5255    1.3722    0.3731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4685    0.8860   -1.2391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3082   -0.3050    1.2904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4896   -0.9872    0.1846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8427   -2.4187   -0.4216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7293   -1.1271   -1.5919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5782   -1.0957   -1.1925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0103   -0.3463    0.4435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8144   -3.0465    0.9424 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5791   -2.3247    2.3417 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5577   -2.4641   -1.4127 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7594   -3.8755   -0.3837 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6948   -2.8727    0.7220 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8045   -2.8688   -0.9926 H   0  0  0  0  0  0  0  0  0  0  0  0
 20 19  1  0
 19 18  1  0
 18 17  1  0
 17 16  1  0
 16 15  1  0
 15 12  1  0
 12 11  2  0
 11 10  1  0
 10  9  2  0
  9  8  1  0
  8  7  1  0
  7  6  2  0
  6  5  1  0
  5 22  1  0
 22 21  1  0
  5  4  2  0
  4  3  1  0
  3  2  2  0
  2  1  1  0
  9 14  1  0
 14 13  2  0
 21 19  1  0
 13 12  1  0
  2  7  1  0
 20 40  1  0
 19 39  1  1
 18 37  1  0
 18 38  1  0
 17 35  1  0
 17 36  1  0
 16 33  1  0
 16 34  1  0
 15 31  1  0
 15 32  1  0
 11 28  1  0
 10 27  1  0
  6 26  1  0
 22 43  1  0
 22 44  1  0
 21 41  1  0
 21 42  1  0
  4 25  1  0
  3 24  1  0
  1 23  1  0
 14 30  1  0
 13 29  1  0
M  END


  Mrv1533004151514252D          

 22 24  0  0  0  0            999 V2000
    4.4844    2.5079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7656    1.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6014    1.8460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4146    1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0611    1.0408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4327    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2530   -0.5744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3750   -1.4142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7282   -1.9476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9184   -1.6642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0398   -1.7730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1858   -1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2050   -0.7516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5109   -0.2787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6259    0.5628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0532    1.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7698   -0.6682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7217   -1.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4205   -1.9568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3646   -2.7799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8270   -0.8330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4623   -0.3110    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  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
  2 16  1  0  0  0  0
 14 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 12 19  1  0  0  0  0
 19 20  1  0  0  0  0
 10 21  1  0  0  0  0
 21 22  2  0  0  0  0
  7 22  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0163392

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OC1CCCCC2=CC=C(OC3=CC(CC1)=CC=C3O)C=C2

> <INCHI_IDENTIFIER>
InChI=1S/C19H22O3/c20-16-4-2-1-3-14-6-10-17(11-7-14)22-19-13-15(5-9-16)8-12-18(19)21/h6-8,10-13,16,20-21H,1-5,9H2

> <INCHI_KEY>
BDTAPCJUUZRFKY-UHFFFAOYSA-N

> <FORMULA>
C19H22O3

> <MOLECULAR_WEIGHT>
298.382

> <EXACT_MASS>
298.156894568

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
44

> <JCHEM_AVERAGE_POLARIZABILITY>
32.092328283038796

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-oxatricyclo[13.2.2.1³,⁷]icosa-1(17),3(20),4,6,15,18-hexaene-4,10-diol

> <ALOGPS_LOGP>
4.39

> <JCHEM_LOGP>
4.569209351333334

> <ALOGPS_LOGS>
-4.30

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
15.250716245373887

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.761974238901127

> <JCHEM_PKA_STRONGEST_BASIC>
-2.6891367922818477

> <JCHEM_POLAR_SURFACE_AREA>
49.69

> <JCHEM_REFRACTIVITY>
87.23440000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.51e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-oxatricyclo[13.2.2.1³,⁷]icosa-1(17),3(20),4,6,15,18-hexaene-4,10-diol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 15-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   15-APR-15         0                                  
HETATM    1  O   UNK     0       8.371   4.682   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       8.896   3.234   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      10.456   3.446   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      11.974   2.977   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      13.181   1.943   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      13.874   0.505   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      13.539  -1.072   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      13.767  -2.640   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      12.559  -3.635   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      11.048  -3.106   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       9.408  -3.310   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       7.814  -2.970   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       7.849  -1.403   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.554  -0.520   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       6.768   1.051   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       7.566   2.399   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       5.170  -1.247   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.081  -2.796   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       6.385  -3.653   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       6.281  -5.189   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      10.877  -1.555   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      12.063  -0.581   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   16                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8   22                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   21                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   19                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   17                                                  
CONECT   15   14   16                                                       
CONECT   16   15    2                                                       
CONECT   17   14   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   12   20                                                  
CONECT   20   19                                                            
CONECT   21   10   22                                                       
CONECT   22   21    7                                                       
MASTER        0    0    0    0    0    0    0    0   22    0   48    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₉H₂₂O₃

Average Mass

298.3820 Da

Monoisotopic Mass

298.15689 Da

IUPAC Name

2-oxatricyclo[13.2.2.1³,⁷]icosa-1(17),3(20),4,6,15,18-hexaene-4,10-diol

Traditional Name

2-oxatricyclo[13.2.2.1³,⁷]icosa-1(17),3(20),4,6,15,18-hexaene-4,10-diol

CAS Registry Number

Not Available

SMILES

OC1CCCCC2=CC=C(OC3=CC(CC1)=CC=C3O)C=C2

InChI Identifier

InChI=1S/C19H22O3/c20-16-4-2-1-3-14-6-10-17(11-7-14)22-19-13-15(5-9-16)8-12-18(19)21/h6-8,10-13,16,20-21H,1-5,9H2

InChI Key

BDTAPCJUUZRFKY-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
Acer nikoense	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as meta,para-diphenylether diarylheptanoids. These are cyclic diarylheptanoids where the two benzene rings are linked to each other by an ether group conjugated to the 3-position of one benzene ring and the 4-position of the other ring.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Diarylheptanoids

Sub Class

Cyclic diarylheptanoids

Direct Parent

Meta,para-diphenylether diarylheptanoids

Alternative Parents

Substituents

Meta,para-diphenylether diarylheptanoid
Oxyneolignan skeleton
Diaryl ether
1-hydroxy-2-unsubstituted benzenoid
Phenol
Benzenoid
Secondary alcohol
Oxacycle
Organoheterocyclic compound
Ether
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Alcohol
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	4.39	ALOGPS
logP	4.57	ChemAxon
logS	-4.3	ALOGPS
pKa (Strongest Acidic)	8.76	ChemAxon
pKa (Strongest Basic)	-2.7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	49.69 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	87.23 m³·mol⁻¹	ChemAxon
Polarizability	32.09 Å³	ChemAxon
Number of Rings	3	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

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DrugBank ID

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Phenol Explorer Compound ID

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FoodDB ID

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KNApSAcK ID

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Chemspider ID

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KEGG Compound ID

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BioCyc ID

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BiGG ID

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METLIN ID

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PubChem Compound

10447413

PDB ID

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ChEBI ID

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Good Scents ID

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References

General References

LOTUS database [Link]

Showing NP-Card for 2-oxatricyclo[13.2.2.1³,⁷]icosa-1(17),3(20),4,6,15,18-hexaene-4,10-diol (NP0163392)

MOL for NP0163392 (2-oxatricyclo[13.2.2.1³,⁷]icosa-1(17),3(20),4,6,15,18-hexaene-4,10-diol)

3D MOL for NP0163392 (2-oxatricyclo[13.2.2.1³,⁷]icosa-1(17),3(20),4,6,15,18-hexaene-4,10-diol)

3D SDF for NP0163392 (2-oxatricyclo[13.2.2.1³,⁷]icosa-1(17),3(20),4,6,15,18-hexaene-4,10-diol)

3D-SDF for NP0163392 (2-oxatricyclo[13.2.2.1³,⁷]icosa-1(17),3(20),4,6,15,18-hexaene-4,10-diol)

PDB for NP0163392 (2-oxatricyclo[13.2.2.1³,⁷]icosa-1(17),3(20),4,6,15,18-hexaene-4,10-diol)

3D PDB for NP0163392 (2-oxatricyclo[13.2.2.1³,⁷]icosa-1(17),3(20),4,6,15,18-hexaene-4,10-diol)

SMILES for NP0163392 (2-oxatricyclo[13.2.2.1³,⁷]icosa-1(17),3(20),4,6,15,18-hexaene-4,10-diol)

INCHI for NP0163392 (2-oxatricyclo[13.2.2.1³,⁷]icosa-1(17),3(20),4,6,15,18-hexaene-4,10-diol)

Structure for NP0163392 (2-oxatricyclo[13.2.2.1³,⁷]icosa-1(17),3(20),4,6,15,18-hexaene-4,10-diol)

3D Structure for NP0163392 (2-oxatricyclo[13.2.2.1³,⁷]icosa-1(17),3(20),4,6,15,18-hexaene-4,10-diol)