NP-MRD: Showing NP-Card for 10,14,15-trihydroxy-8-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁷]heptadeca-1,3,6,12,14,16-hexaen-5-one (NP0161518)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-09-02 19:42:39 UTC

Updated at

2022-09-02 19:42:40 UTC

NP-MRD ID

NP0161518

Secondary Accession Numbers

None

Natural Product Identification

Common Name

10,14,15-trihydroxy-8-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁷]heptadeca-1,3,6,12,14,16-hexaen-5-one

Description

Brazilein belongs to the class of organic compounds known as indanes. Indanes are compounds containing an indane moiety, which consists of a cyclopentane fused to a benzene ring. 10,14,15-trihydroxy-8-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁷]heptadeca-1,3,6,12,14,16-hexaen-5-one was first documented in 2022 (PMID: 36037115). Based on a literature review a small amount of articles have been published on Brazilein (PMID: 35969994) (PMID: 35818043) (PMID: 35773064) (PMID: 35225488).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 33 36  0  0  0  0  0  0  0  0999 V2000
   -4.9414   -2.5549   -0.7087 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8718   -1.9280   -0.5022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5593   -2.5034   -0.7217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4248   -1.8168   -0.4968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4804   -0.4553   -0.0183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4201    0.2427    0.2228 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0215   -0.0947    0.1116 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7121   -1.2710    0.2641 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1057   -1.3093    0.0913 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7888   -2.5056    0.2475 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7325   -0.1424   -0.2288 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1239   -0.1852   -0.4011 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292    1.0332   -0.3776 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6411    1.0958   -0.2104 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6572    2.1929   -0.2754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4730    1.6672    0.6225 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1409    1.7587    1.9542 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7754    2.2725    0.2538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8271    1.4345    0.6722 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8153    0.1200    0.2042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9278   -0.5555   -0.0188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4520   -3.5181   -1.0784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4752   -2.2578   -0.6944 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2677   -2.2067    0.5454 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2805   -3.3465    0.4855 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6073    0.6541   -0.6356 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5800    1.9221   -0.6304 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2166    2.3365   -1.2747 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0424    3.1539    0.1273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6493    1.1286    2.4989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8930    3.3043    0.6707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7775    2.4205   -0.8573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9023   -0.0865    0.1589 H   0  0  0  0  0  0  0  0  0  0  0  0
 12 11  1  0
 11  9  2  0
  9 10  1  0
  9  8  1  0
  8  7  2  0
  7 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  1
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21  2  1  0
  2  1  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
 14 13  2  0
 13 11  1  0
  6  7  1  0
  6 16  1  0
  5 20  1  0
 12 26  1  0
 10 25  1  0
  8 24  1  0
 15 28  1  0
 15 29  1  0
 17 30  1  0
 18 31  1  0
 18 32  1  0
 21 33  1  0
  3 22  1  0
  4 23  1  0
 13 27  1  0
M  END


  Mrv1652309022221422D          

 21 24  0  0  0  0            999 V2000
   -1.6249   -1.9647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8544   -2.2595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2138   -1.7396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5568   -2.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6867   -2.8492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4572   -3.1440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1919   -2.7687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4046   -1.9716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2012   -1.7572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4139   -0.9601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7852   -2.3400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5819   -2.1256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5725   -3.1371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7758   -3.3515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4021   -4.0869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5871   -3.9587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8015   -4.7554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9465   -4.4786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1760   -4.1838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0461   -3.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7244   -3.0742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
  7 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
  6 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
  5 20  1  0  0  0  0
 20 21  2  0  0  0  0
  2 21  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0161518

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OC1=C(O)C=C2C(CC3(O)COC4=CC(=O)C=CC4=C23)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C16H12O5/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/h1-5,18-20H,6-7H2

> <INCHI_KEY>
PGERTGWKXFAEFR-UHFFFAOYSA-N

> <FORMULA>
C16H12O5

> <MOLECULAR_WEIGHT>
284.267

> <EXACT_MASS>
284.068473486

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
33

> <JCHEM_AVERAGE_POLARIZABILITY>
28.216000889482956

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
10,14,15-trihydroxy-8-oxatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-1,3,6,12,14,16-hexaen-5-one

> <ALOGPS_LOGP>
1.03

> <JCHEM_LOGP>
0.7317261386666662

> <ALOGPS_LOGS>
-3.09

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.408479235764549

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.91195020437399

> <JCHEM_PKA_STRONGEST_BASIC>
-3.608231686441523

> <JCHEM_POLAR_SURFACE_AREA>
86.99000000000001

> <JCHEM_REFRACTIVITY>
78.091

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.33e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
10,14,15-trihydroxy-8-oxatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-1,3,6,12,14,16-hexaen-5-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 02-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   02-SEP-22         0                                  
HETATM    1  O   UNK     0      -3.033  -3.667   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      -1.595  -4.218   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -0.399  -3.247   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.039  -3.798   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.282  -5.318   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.720  -5.869   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.091  -5.168   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.488  -3.680   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       5.976  -3.280   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       6.373  -1.792   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       7.066  -4.368   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       8.553  -3.968   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       6.669  -5.856   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.182  -6.256   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.484  -7.629   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.963  -7.390   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       3.363  -8.877   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       1.767  -8.360   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       0.329  -7.810   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       0.086  -6.289   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -1.352  -5.739   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   21                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6   20                                                  
CONECT    6    5    7   16                                                  
CONECT    7    6    8   14                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14                                                       
CONECT   14   13    7   15                                                  
CONECT   15   14   16                                                       
CONECT   16   15    6   17   18                                             
CONECT   17   16                                                            
CONECT   18   16   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19    5   21                                                  
CONECT   21   20    2                                                       
MASTER        0    0    0    0    0    0    0    0   21    0   48    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₆H₁₂O₅

Average Mass

284.2670 Da

Monoisotopic Mass

284.06847 Da

IUPAC Name

10,14,15-trihydroxy-8-oxatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-1,3,6,12,14,16-hexaen-5-one

Traditional Name

10,14,15-trihydroxy-8-oxatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-1,3,6,12,14,16-hexaen-5-one

CAS Registry Number

Not Available

SMILES

OC1=C(O)C=C2C(CC3(O)COC4=CC(=O)C=CC4=C23)=C1

InChI Identifier

InChI=1S/C16H12O5/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/h1-5,18-20H,6-7H2

InChI Key

PGERTGWKXFAEFR-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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as indanes. Indanes are compounds containing an indane moiety, which consists of a cyclopentane fused to a benzene ring.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Indanes

Sub Class

Not Available

Direct Parent

Indanes

Alternative Parents

Substituents

Indane
1-hydroxy-2-unsubstituted benzenoid
Phenol
Pyran
Tertiary alcohol
Vinylogous ester
Ketone
Cyclic ketone
Oxacycle
Polyol
Organoheterocyclic compound
Hydrocarbon derivative
Organic oxide
Organooxygen compound
Alcohol
Organic oxygen compound
Carbonyl group
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	1.03	ALOGPS
logP	0.73	ChemAxon
logS	-3.1	ALOGPS
pKa (Strongest Acidic)	8.91	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	86.99 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	78.09 m³·mol⁻¹	ChemAxon
Polarizability	28.22 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

Not Available

Chemspider ID

4956247

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Brazilin

METLIN ID

Not Available

PubChem Compound

6453902

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

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 ]
Ngamwonglumlert L, Devahastin S: Brazilein as an alternative pigment: Isolation, characterization, stability enhancement and food applications. Food Chem. 2023 Jan 1;398:133898. doi: 10.1016/j.foodchem.2022.133898. Epub 2022 Aug 9. [PubMed:35969994 ]
Duran-Izquierdo M, Taboada-Alquerque M, Sierra-Marquez L, Alvarez-Ortega N, Stashenko E, Olivero-Verbel J: Hydroalcoholic extract of Haematoxylum brasiletto protects Caenorhabditis elegans from cadmium-induced toxicity. BMC Complement Med Ther. 2022 Jul 11;22(1):184. doi: 10.1186/s12906-022-03654-6. [PubMed:35818043 ]
Mou Z, Wang Y, Li Y: Retraction notice to "Brazilein induces apoptosis and G1/G0 phase cell cycle arrest by up-regulation of miR-133a in human vestibular schwannoma cells" [Experimental and Molecular Pathology 107 (2019) 95-101]. Exp Mol Pathol. 2022 Aug;127:104782. doi: 10.1016/j.yexmp.2022.104782. Epub 2022 Jun 27. [PubMed:35773064 ]
Haryanti S, Zulfin UM, Salsabila IA, Wulandari F, Meiyanto E: The Cytotoxic and Anti-Migratory Properties of Caesalpinia sappan and Ficus septica, in Combination with Doxorubicin on 4T1 TNBC Cells with Nephroprotective Potential. Asian Pac J Cancer Prev. 2022 Feb 1;23(2):743-752. doi: 10.31557/APJCP.2022.23.2.743. [PubMed:35225488 ]
LOTUS database [Link]

Showing NP-Card for 10,14,15-trihydroxy-8-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁷]heptadeca-1,3,6,12,14,16-hexaen-5-one (NP0161518)

MOL for NP0161518 (10,14,15-trihydroxy-8-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁷]heptadeca-1,3,6,12,14,16-hexaen-5-one)

3D MOL for NP0161518 (10,14,15-trihydroxy-8-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁷]heptadeca-1,3,6,12,14,16-hexaen-5-one)

3D SDF for NP0161518 (10,14,15-trihydroxy-8-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁷]heptadeca-1,3,6,12,14,16-hexaen-5-one)

3D-SDF for NP0161518 (10,14,15-trihydroxy-8-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁷]heptadeca-1,3,6,12,14,16-hexaen-5-one)

PDB for NP0161518 (10,14,15-trihydroxy-8-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁷]heptadeca-1,3,6,12,14,16-hexaen-5-one)

3D PDB for NP0161518 (10,14,15-trihydroxy-8-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁷]heptadeca-1,3,6,12,14,16-hexaen-5-one)

SMILES for NP0161518 (10,14,15-trihydroxy-8-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁷]heptadeca-1,3,6,12,14,16-hexaen-5-one)

INCHI for NP0161518 (10,14,15-trihydroxy-8-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁷]heptadeca-1,3,6,12,14,16-hexaen-5-one)

Structure for NP0161518 (10,14,15-trihydroxy-8-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁷]heptadeca-1,3,6,12,14,16-hexaen-5-one)

3D Structure for NP0161518 (10,14,15-trihydroxy-8-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁷]heptadeca-1,3,6,12,14,16-hexaen-5-one)