NP-MRD: Showing NP-Card for (1s,10s)-8-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁷]heptadeca-2,4,6,12,14,16-hexaene-5,10,14,15-tetrol (NP0305715)

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Record Information

Version

2.0

Created at

2022-09-10 21:45:59 UTC

Updated at

2022-09-10 21:45:59 UTC

NP-MRD ID

NP0305715

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1s,10s)-8-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁷]heptadeca-2,4,6,12,14,16-hexaene-5,10,14,15-tetrol

Description

Brazilin belongs to the class of organic compounds known as 1-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 1-position. (1s,10s)-8-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁷]heptadeca-2,4,6,12,14,16-hexaene-5,10,14,15-tetrol was first documented in 2022 (PMID: 36057446). Based on a literature review a small amount of articles have been published on Brazilin (PMID: 36037115) (PMID: 35807650) (PMID: 35752334) (PMID: 35563795).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 35 38  0  0  0  0  0  0  0  0999 V2000
    5.4150    0.5019   -0.0928 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0353    0.4826   -0.1802 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2040    0.9461    0.8005 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8074    0.9235    0.7045 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2693    0.4163   -0.4180 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1171   -0.0671   -1.4396 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4847   -0.0384   -1.3314 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4481   -0.5751   -2.5611 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3129   -1.4496   -2.4403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2589   -1.2471   -1.0724 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5170   -1.9592   -0.1547 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6967   -1.4879   -0.8940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0838   -0.4881    0.1329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2066   -0.5071    0.9617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4237    0.5322    1.8438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5421    0.5253    2.6783 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5238    1.5802    1.8938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7860    2.6012    2.7962 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4260    1.5584    1.0558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1685    0.5464    0.1642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1448    0.2652   -0.7927 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9692   -0.2627    0.2982 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6446    1.3562    1.7073 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1842    1.2818    1.4862 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1172   -0.4160   -2.1318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4489   -1.0603   -3.1740 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5814   -2.4773   -2.6830 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0591   -2.6554   -0.6449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2668   -1.3382   -1.8366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8710   -2.5018   -0.4712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9105   -1.3344    0.9170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1786   -0.2533    2.6171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1823    3.3979    2.8945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7776    2.4308    1.1475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2697    0.7731   -1.7810 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5 21  1  0
 21 20  1  0
 20 19  2  0
 19 17  1  0
 17 18  1  0
 17 15  2  0
 15 16  1  0
 15 14  1  0
 14 13  2  0
 13 12  1  0
 12 10  1  0
 10 11  1  1
 10  9  1  0
  9  8  1  0
  8  6  1  0
  6  7  2  0
  7  2  1  0
  6  5  1  0
 10 21  1  0
 13 20  1  0
  1 22  1  0
  3 23  1  0
  4 24  1  0
 21 35  1  6
 19 34  1  0
 18 33  1  0
 16 32  1  0
 14 31  1  0
 12 29  1  0
 12 30  1  0
 11 28  1  0
  9 26  1  0
  9 27  1  0
  7 25  1  0
M  END


  Mrv1652309102223462D          

 21 24  0  0  1  0            999 V2000
    5.3279    1.0022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5574    0.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9168    1.2272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1463    0.9324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0163    0.1177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6569   -0.4022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4274   -0.1074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5270   -1.2169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7565   -1.5118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1159   -0.9919    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9015   -1.7886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3009   -1.1201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9272   -0.3846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1305   -0.1702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0822    0.6269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8789    0.8412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5018    1.2096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2891    2.0067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2984    0.9952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5111    0.1981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2458   -0.1772    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  2  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  1  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 13 20  1  0  0  0  0
 21 20  1  1  0  0  0
  5 21  1  0  0  0  0
 10 21  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0305715

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OC1=CC=C2[C@@H]3C4=CC(O)=C(O)C=C4C[C@@]3(O)COC2=C1

> <INCHI_IDENTIFIER>
InChI=1S/C16H14O5/c17-9-1-2-10-14(4-9)21-7-16(20)6-8-3-12(18)13(19)5-11(8)15(10)16/h1-5,15,17-20H,6-7H2/t15-,16-/m1/s1

> <INCHI_KEY>
UWHUTZOCTZJUKC-HZPDHXFCSA-N

> <FORMULA>
C16H14O5

> <MOLECULAR_WEIGHT>
286.283

> <EXACT_MASS>
286.084123551

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
35

> <JCHEM_AVERAGE_POLARIZABILITY>
29.06036076387715

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1S,10S)-8-oxatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-2,4,6,12,14,16-hexaene-5,10,14,15-tetrol

> <JCHEM_LOGP>
1.7768661686666665

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.769862882420947

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.14529731376303

> <JCHEM_PKA_STRONGEST_BASIC>
-3.489064369817041

> <JCHEM_POLAR_SURFACE_AREA>
90.15

> <JCHEM_REFRACTIVITY>
75.5018

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(1S,10S)-8-oxatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-2,4,6,12,14,16-hexaene-5,10,14,15-tetrol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 10-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   10-SEP-22         0                                  
HETATM    1  O   UNK     0       9.945   1.871   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       8.507   1.320   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       7.311   2.291   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.873   1.740   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.630   0.220   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       6.826  -0.751   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       8.265  -0.200   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       6.584  -2.272   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       5.145  -2.822   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       3.950  -1.852   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       3.550  -3.339   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       2.428  -2.091   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.731  -0.718   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.244  -0.318   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -0.153   1.170   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      -1.641   1.570   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       0.937   2.258   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       0.540   3.746   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       2.424   1.858   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       2.821   0.370   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       4.192  -0.331   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    7                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6   21                                                  
CONECT    6    5    7    8                                                  
CONECT    7    6    2                                                       
CONECT    8    6    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   12   21                                             
CONECT   11   10                                                            
CONECT   12   10   13                                                       
CONECT   13   12   14   20                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20                                                       
CONECT   20   19   13   21                                                  
CONECT   21   20    5   10                                                  
MASTER        0    0    0    0    0    0    0    0   21    0   48    0
END

View in JSmol

Synonyms

Value	Source
Brasilin	MeSH

Chemical Formula

C₁₆H₁₄O₅

Average Mass

286.2830 Da

Monoisotopic Mass

286.08412 Da

IUPAC Name

(1S,10S)-8-oxatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-2,4,6,12,14,16-hexaene-5,10,14,15-tetrol

Traditional Name

(1S,10S)-8-oxatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-2,4,6,12,14,16-hexaene-5,10,14,15-tetrol

CAS Registry Number

Not Available

SMILES

OC1=CC=C2[C@@H]3C4=CC(O)=C(O)C=C4C[C@@]3(O)COC2=C1

InChI Identifier

InChI=1S/C16H14O5/c17-9-1-2-10-14(4-9)21-7-16(20)6-8-3-12(18)13(19)5-11(8)15(10)16/h1-5,15,17-20H,6-7H2/t15-,16-/m1/s1

InChI Key

UWHUTZOCTZJUKC-HZPDHXFCSA-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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 1-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 1-position.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Benzopyrans

Sub Class

1-benzopyrans

Direct Parent

1-benzopyrans

Alternative Parents

Substituents

1-benzopyran
Indane
1-hydroxy-2-unsubstituted benzenoid
Phenol
Alkyl aryl ether
Benzenoid
Tertiary alcohol
Oxacycle
Polyol
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	1.78	ChemAxon
pKa (Strongest Acidic)	9.15	ChemAxon
pKa (Strongest Basic)	-3.5	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	90.15 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	75.5 m³·mol⁻¹	ChemAxon
Polarizability	29.06 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

C00010268

Chemspider ID

114643009

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Brazilin

METLIN ID

Not Available

PubChem Compound

36689482

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Park JI, Kim SJ, Kim YJ, Lee SJ: Protective role of Caesalpinia sappan extract and its main component brazilin against blue light-induced damage in human fibroblasts. J Cosmet Dermatol. 2022 Sep 3. doi: 10.1111/jocd.15354. [PubMed:36057446 ]
Handayani S, Susidarti RA, Utomo RY, Meiyanto E, Jenie RII: Synergistic Cytotoxic and Antimigratory Effect of Brazilein and Doxorubicin on HER2-Overexpressing Cells. Asian Pac J Cancer Prev. 2022 Aug 1;23(8):2623-2632. doi: 10.31557/APJCP.2022.23.8.2623. [PubMed:36037115 ]
Pattananandecha T, Apichai S, Julsrigival J, Ogata F, Kawasaki N, Saenjum C: Antibacterial Activity against Foodborne Pathogens and Inhibitory Effect on Anti-Inflammatory Mediators' Production of Brazilin-Enriched Extract from Caesalpinia sappan Linn. Plants (Basel). 2022 Jun 27;11(13):1698. doi: 10.3390/plants11131698. [PubMed:35807650 ]
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LOTUS database [Link]

Showing NP-Card for (1s,10s)-8-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁷]heptadeca-2,4,6,12,14,16-hexaene-5,10,14,15-tetrol (NP0305715)

MOL for NP0305715 ((1s,10s)-8-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁷]heptadeca-2,4,6,12,14,16-hexaene-5,10,14,15-tetrol)

3D MOL for NP0305715 ((1s,10s)-8-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁷]heptadeca-2,4,6,12,14,16-hexaene-5,10,14,15-tetrol)

3D SDF for NP0305715 ((1s,10s)-8-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁷]heptadeca-2,4,6,12,14,16-hexaene-5,10,14,15-tetrol)

3D-SDF for NP0305715 ((1s,10s)-8-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁷]heptadeca-2,4,6,12,14,16-hexaene-5,10,14,15-tetrol)

PDB for NP0305715 ((1s,10s)-8-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁷]heptadeca-2,4,6,12,14,16-hexaene-5,10,14,15-tetrol)

3D PDB for NP0305715 ((1s,10s)-8-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁷]heptadeca-2,4,6,12,14,16-hexaene-5,10,14,15-tetrol)

SMILES for NP0305715 ((1s,10s)-8-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁷]heptadeca-2,4,6,12,14,16-hexaene-5,10,14,15-tetrol)

INCHI for NP0305715 ((1s,10s)-8-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁷]heptadeca-2,4,6,12,14,16-hexaene-5,10,14,15-tetrol)

Structure for NP0305715 ((1s,10s)-8-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁷]heptadeca-2,4,6,12,14,16-hexaene-5,10,14,15-tetrol)

3D Structure for NP0305715 ((1s,10s)-8-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁷]heptadeca-2,4,6,12,14,16-hexaene-5,10,14,15-tetrol)