NP-MRD: Showing NP-Card for 5,13,14-trihydroxy-3-methoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-9-one (NP0291148)

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Record Information

Version

1.0

Created at

2022-09-09 22:07:54 UTC

Updated at

2022-09-09 22:07:54 UTC

NP-MRD ID

NP0291148

Secondary Accession Numbers

None

Natural Product Identification

Common Name

5,13,14-trihydroxy-3-methoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-9-one

Description

5,13,14-Trihydroxy-3-methoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]Heptadeca-1(10),2,4,6,11(16),12,14-heptaen-9-one belongs to the class of organic compounds known as coumestans. These are polycyclic aromatic compounds containing a coumestan moiety, which consists of a benzoxole fused to a chromen-2-one to form 1-Benzoxolo[3,2-c]chromen-6-one. They are oxidation products of pterocarpan. 5,13,14-trihydroxy-3-methoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-9-one is found in Wedelia acapulcensis. 5,13,14-Trihydroxy-3-methoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]Heptadeca-1(10),2,4,6,11(16),12,14-heptaen-9-one is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 33 36  0  0  0  0  0  0  0  0999 V2000
   -2.5747    2.9875   -0.9909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8242    1.8705   -0.6336 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3645    0.6509   -0.2497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6977    0.3920   -0.1738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1374   -0.8554    0.2193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5149   -1.0967    0.2895 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2744   -1.8607    0.5418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9060   -1.6313    0.4754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0599   -2.6008    0.7864 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2351   -2.4350    0.7398 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0615   -3.3379    1.0296 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7199   -1.2221    0.3578 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0024   -0.7368    0.2100 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2695   -1.2520    0.3790 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3878   -0.4801    0.1396 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6636   -0.9922    0.3077 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3003    0.8350   -0.2774 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4560    1.5676   -0.5042 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0354    1.3531   -0.4474 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8966    0.5697   -0.2044 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6147    0.8602   -0.3023 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1153   -0.1779    0.0232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4915   -0.3778    0.0802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5090    3.0058   -0.4173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9910    3.8931   -0.6512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7223    2.9909   -2.0894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3991    1.1703   -0.4236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9398   -0.8922    1.1892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6148   -2.8533    0.8547 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3396   -2.2850    0.7065 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7461   -1.9518    0.6120 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4848    2.5099   -0.8026 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9230    2.3825   -0.7740 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3 23  2  0
 23 22  1  0
 22 12  2  0
 12 13  1  0
 13 20  2  0
 20 21  1  0
 20 19  1  0
 19 17  2  0
 17 18  1  0
 17 15  1  0
 15 16  1  0
 15 14  2  0
 12 10  1  0
 10 11  2  0
 10  9  1  0
  9  8  1  0
  8  7  2  0
  7  5  1  0
  5  6  1  0
  5  4  2  0
  4  3  1  0
  8 23  1  0
 21 22  1  0
 14 13  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
 19 33  1  0
 18 32  1  0
 16 31  1  0
 14 30  1  0
  7 29  1  0
  6 28  1  0
  4 27  1  0
M  END


  Mrv1652310051711092D          

 23 26  0  0  0  0            999 V2000
    5.0975    2.6871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1158    1.8559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0341    0.4293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0733    0.3421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9948    1.9902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4868    1.1190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7673    0.7881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3400    0.7202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3008    1.5443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7281    1.6122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2921    1.9031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2105    0.4764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5632    0.5707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8395    1.2133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0158    1.2605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9342   -0.1661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3104    1.0719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6459    0.2742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5675    1.9223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4815   -0.8559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9211    2.6399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4997    1.9041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7578   -0.2133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  2  2  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  4  2  0  0  0  0
  9  5  2  0  0  0  0
  9  8  1  0  0  0  0
 10  5  1  0  0  0  0
 10  7  2  0  0  0  0
 11  2  1  0  0  0  0
 12  3  2  0  0  0  0
 13  7  1  0  0  0  0
 14 11  2  0  0  0  0
 14 12  1  0  0  0  0
 15 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 13  1  0  0  0  0
 17  6  1  0  0  0  0
 18  8  1  0  0  0  0
 19  9  1  0  0  0  0
 20 16  2  0  0  0  0
 21  1  1  0  0  0  0
 21 11  1  0  0  0  0
 22 10  1  0  0  0  0
 22 15  1  0  0  0  0
 23 12  1  0  0  0  0
 23 16  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0291148

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=C2C3=C(C4=C(O3)C=C(O)C(O)=C4)C(=O)OC2=CC(O)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C16H10O7/c1-21-11-2-6(17)3-12-14(11)15-13(16(20)23-12)7-4-8(18)9(19)5-10(7)22-15/h2-5,17-19H,1H3

> <INCHI_KEY>
RFQPHWCAHNTCDX-UHFFFAOYSA-N

> <FORMULA>
C16H10O7

> <MOLECULAR_WEIGHT>
314.249

> <EXACT_MASS>
314.042652662

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
33

> <JCHEM_AVERAGE_POLARIZABILITY>
30.13318273006374

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
5,13,14-trihydroxy-3-methoxy-8,17-dioxatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2,4,6,11(16),12,14-heptaen-9-one

> <ALOGPS_LOGP>
2.79

> <JCHEM_LOGP>
1.936084735

> <ALOGPS_LOGS>
-2.55

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.338595798358986

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.184163458742059

> <JCHEM_PKA_STRONGEST_BASIC>
-3.0593739441340846

> <JCHEM_POLAR_SURFACE_AREA>
109.36

> <JCHEM_REFRACTIVITY>
78.0636

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.85e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5,13,14-trihydroxy-3-methoxy-8,17-dioxatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2,4,6,11(16),12,14-heptaen-9-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 05-OCT-17   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-OCT-17         0                                  
HETATM    1  C   UNK     0       9.515   5.016   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      13.283   3.464   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      13.130   0.801   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.737   0.639   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.590   3.715   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      13.975   2.089   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       7.032   1.471   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.368   1.344   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.295   2.883   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       6.959   3.009   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      11.745   3.552   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      11.593   0.889   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       8.518   1.065   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      10.900   2.265   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       9.363   2.353   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       9.210  -0.310   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      15.513   2.001   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0       3.072   0.512   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       2.926   3.588   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       8.365  -1.598   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      11.053   4.928   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       8.399   3.554   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      10.748  -0.398   0.000  0.00  0.00           O+0
CONECT    1   21                                                            
CONECT    2    6   11                                                       
CONECT    3    6   12                                                       
CONECT    4    7    8                                                       
CONECT    5    9   10                                                       
CONECT    6    2    3   17                                                  
CONECT    7    4   10   13                                                  
CONECT    8    4    9   18                                                  
CONECT    9    5    8   19                                                  
CONECT   10    5    7   22                                                  
CONECT   11    2   14   21                                                  
CONECT   12    3   14   23                                                  
CONECT   13    7   15   16                                                  
CONECT   14   11   12   15                                                  
CONECT   15   13   14   22                                                  
CONECT   16   13   20   23                                                  
CONECT   17    6                                                            
CONECT   18    8                                                            
CONECT   19    9                                                            
CONECT   20   16                                                            
CONECT   21    1   11                                                       
CONECT   22   10   15                                                       
CONECT   23   12   16                                                       
MASTER        0    0    0    0    0    0    0    0   23    0   52    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₆H₁₀O₇

Average Mass

314.2490 Da

Monoisotopic Mass

314.04265 Da

IUPAC Name

5,13,14-trihydroxy-3-methoxy-8,17-dioxatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2,4,6,11(16),12,14-heptaen-9-one

Traditional Name

5,13,14-trihydroxy-3-methoxy-8,17-dioxatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2,4,6,11(16),12,14-heptaen-9-one

CAS Registry Number

Not Available

SMILES

COC1=C2C3=C(C4=C(O3)C=C(O)C(O)=C4)C(=O)OC2=CC(O)=C1

InChI Identifier

InChI=1S/C16H10O7/c1-21-11-2-6(17)3-12-14(11)15-13(16(20)23-12)7-4-8(18)9(19)5-10(7)22-15/h2-5,17-19H,1H3

InChI Key

RFQPHWCAHNTCDX-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
Wedelia acapulcensis	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as coumestans. These are polycyclic aromatic compounds containing a coumestan moiety, which consists of a benzoxole fused to a chromen-2-one to form 1-Benzoxolo[3,2-c]chromen-6-one. They are oxidation products of pterocarpan.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Isoflavonoids

Sub Class

Coumestans

Direct Parent

Coumestans

Alternative Parents

Substituents

Coumestan
Furanocoumarin
Angular furanocoumarin
Coumarin
1-benzopyran
Benzopyran
Furopyran
Benzofuran
Anisole
1-hydroxy-2-unsubstituted benzenoid
Pyranone
Alkyl aryl ether
Benzenoid
Pyran
Furan
Heteroaromatic compound
Lactone
Oxacycle
Organoheterocyclic compound
Polyol
Ether
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen 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	2.79	ALOGPS
logP	1.94	ChemAxon
logS	-2.6	ALOGPS
pKa (Strongest Acidic)	7.18	ChemAxon
pKa (Strongest Basic)	-3.1	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	109.36 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	78.06 m³·mol⁻¹	ChemAxon
Polarizability	30.13 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

HMDB0149762

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

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

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ChEBI ID

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References

General References

LOTUS database [Link]

Showing NP-Card for 5,13,14-trihydroxy-3-methoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-9-one (NP0291148)

MOL for NP0291148 (5,13,14-trihydroxy-3-methoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-9-one)

3D MOL for NP0291148 (5,13,14-trihydroxy-3-methoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-9-one)

3D SDF for NP0291148 (5,13,14-trihydroxy-3-methoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-9-one)

3D-SDF for NP0291148 (5,13,14-trihydroxy-3-methoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-9-one)

PDB for NP0291148 (5,13,14-trihydroxy-3-methoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-9-one)

3D PDB for NP0291148 (5,13,14-trihydroxy-3-methoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-9-one)

SMILES for NP0291148 (5,13,14-trihydroxy-3-methoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-9-one)

INCHI for NP0291148 (5,13,14-trihydroxy-3-methoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-9-one)

Structure for NP0291148 (5,13,14-trihydroxy-3-methoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-9-one)

3D Structure for NP0291148 (5,13,14-trihydroxy-3-methoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-9-one)