NP-MRD: Showing NP-Card for (4s)-8,11,13-trihydroxy-4-methyl-4,5,6,7,8,9-hexahydro-1h-3-benzoxacyclododecine-2,10-dione (NP0288425)

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Record Information

Version

2.0

Created at

2022-09-09 18:07:20 UTC

Updated at

2022-09-09 18:07:21 UTC

NP-MRD ID

NP0288425

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(4s)-8,11,13-trihydroxy-4-methyl-4,5,6,7,8,9-hexahydro-1h-3-benzoxacyclododecine-2,10-dione

Description

11-Hydroxycurvularin belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members. (4s)-8,11,13-trihydroxy-4-methyl-4,5,6,7,8,9-hexahydro-1h-3-benzoxacyclododecine-2,10-dione was first documented in 2004 (PMID: 15620238). Based on a literature review very few articles have been published on 11-hydroxycurvularin (PMID: 26119337).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 42 43  0  0  0  0  0  0  0  0999 V2000
   -3.9143   -1.9866   -0.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5715   -1.2570    0.1521 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8119    0.0303    0.9203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8362    1.1676   -0.0426 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1492    2.4109    0.3889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6717    2.4314    0.3142 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2754    3.7420   -0.0435 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0423    1.5122   -0.6740 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4226    1.4429   -0.4616 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0430    2.5408   -0.3390 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2322    0.2377   -0.3786 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4561    0.2103   -1.0696 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9240    1.2611   -1.8306 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2878   -0.9072   -1.0260 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9421   -2.0135   -0.3106 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7784   -3.1529   -0.2595 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7454   -2.0040    0.3731 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9118   -0.8943    0.3343 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6540   -1.0475    1.1427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2427   -2.0949    0.5965 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3771   -3.0703    0.0283 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5964   -2.0789    0.6633 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4008   -2.0392    0.9910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6989   -2.9625   -0.4511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5338   -1.4140   -0.7189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3326   -0.9541   -0.8986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8144   -0.0801    1.4300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1096    0.1803    1.7634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4743    0.9066   -1.0706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9175    1.4397   -0.2095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5686    3.2440   -0.2336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4277    2.7034    1.4409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1918    2.2696    1.3206 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4844    4.0676    0.4965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5047    0.5399   -0.8178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1535    2.0315   -1.6793 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4524    2.1179   -1.9814 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2309   -0.9154   -1.5644 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6532   -3.1714   -0.7539 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5095   -2.8993    0.9298 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1926   -0.0938    1.3598 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9422   -1.4508    2.1708 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22  2  1  0
 18 11  1  0
  1 23  1  0
  1 24  1  0
  1 25  1  0
  2 26  1  6
  3 27  1  0
  3 28  1  0
  4 29  1  0
  4 30  1  0
  5 31  1  0
  5 32  1  0
  6 33  1  1
  7 34  1  0
  8 35  1  0
  8 36  1  0
 13 37  1  0
 14 38  1  0
 16 39  1  0
 17 40  1  0
 19 41  1  0
 19 42  1  0
M  END


  Mrv1652309092220072D          

 22 23  0  0  1  0            999 V2000
    7.4701    1.7627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6906    1.4927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5347    0.6825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1583    0.1425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0024   -0.6677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2228   -0.9377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0669   -1.7479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5992   -0.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8196   -0.6677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6637   -1.4778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1960   -0.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4164   -0.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2605   -1.2078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7928    0.1425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9487    0.9526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3251    1.4927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7283    1.2226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3519    0.6825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1315    0.9526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2874    1.7627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6637    2.3028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0669    2.0328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  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
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 11 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
  2 22  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0288425

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@H]1CCCC(O)CC(=O)C2=C(O)C=C(O)C=C2CC(=O)O1

> <INCHI_IDENTIFIER>
InChI=1S/C16H20O6/c1-9-3-2-4-11(17)7-13(19)16-10(6-15(21)22-9)5-12(18)8-14(16)20/h5,8-9,11,17-18,20H,2-4,6-7H2,1H3/t9-,11?/m0/s1

> <INCHI_KEY>
QPBNFQKLPIXNFL-FTNKSUMCSA-N

> <FORMULA>
C16H20O6

> <MOLECULAR_WEIGHT>
308.33

> <EXACT_MASS>
308.125988364

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
42

> <JCHEM_AVERAGE_POLARIZABILITY>
31.58678491866685

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(4S)-8,11,13-trihydroxy-4-methyl-2,4,5,6,7,8,9,10-octahydro-1H-3-benzoxacyclododecine-2,10-dione

> <JCHEM_LOGP>
2.103877953333334

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.654882466995666

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.7715366458231605

> <JCHEM_PKA_STRONGEST_BASIC>
-2.767373381136337

> <JCHEM_POLAR_SURFACE_AREA>
104.06000000000002

> <JCHEM_REFRACTIVITY>
79.13189999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(4S)-8,11,13-trihydroxy-4-methyl-4,5,6,7,8,9-hexahydro-1H-3-benzoxacyclododecine-2,10-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 09-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   09-SEP-22         0                                  
HETATM    1  C   UNK     0      13.944   3.290   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      12.489   2.786   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      12.198   1.274   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      13.362   0.266   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      13.071  -1.246   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      11.616  -1.750   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      11.325  -3.263   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      10.452  -0.742   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       8.997  -1.246   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       8.706  -2.759   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       7.833  -0.238   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       6.377  -0.742   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       6.086  -2.254   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       5.213   0.266   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       5.504   1.778   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       4.340   2.786   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       6.959   2.282   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       8.124   1.274   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       9.579   1.778   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       9.870   3.290   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       8.706   4.299   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      11.325   3.794   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   22                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   18                                                  
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17   11   19                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20    2                                                       
MASTER        0    0    0    0    0    0    0    0   22    0   46    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₆H₂₀O₆

Average Mass

308.3300 Da

Monoisotopic Mass

308.12599 Da

IUPAC Name

(4S)-8,11,13-trihydroxy-4-methyl-2,4,5,6,7,8,9,10-octahydro-1H-3-benzoxacyclododecine-2,10-dione

Traditional Name

(4S)-8,11,13-trihydroxy-4-methyl-4,5,6,7,8,9-hexahydro-1H-3-benzoxacyclododecine-2,10-dione

CAS Registry Number

Not Available

SMILES

C[C@H]1CCCC(O)CC(=O)C2=C(O)C=C(O)C=C2CC(=O)O1

InChI Identifier

InChI=1S/C16H20O6/c1-9-3-2-4-11(17)7-13(19)16-10(6-15(21)22-9)5-12(18)8-14(16)20/h5,8-9,11,17-18,20H,2-4,6-7H2,1H3/t9-,11?/m0/s1

InChI Key

QPBNFQKLPIXNFL-FTNKSUMCSA-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 macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Macrolides and analogues

Sub Class

Not Available

Direct Parent

Macrolides and analogues

Alternative Parents

Substituents

Macrolide
Aryl ketone
Aryl alkyl ketone
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Benzenoid
Vinylogous acid
Carboxylic acid ester
Ketone
Lactone
Secondary alcohol
Polyol
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Oxacycle
Organoheterocyclic compound
Carbonyl group
Organooxygen compound
Organic oxygen compound
Aldehyde
Alcohol
Organic oxide
Hydrocarbon derivative
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	2.1	ChemAxon
pKa (Strongest Acidic)	7.77	ChemAxon
pKa (Strongest Basic)	-2.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	104.06 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	79.13 m³·mol⁻¹	ChemAxon
Polarizability	31.59 Å³	ChemAxon
Number of Rings	2	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

C00043149

Chemspider ID

9384082

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

11209020

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

He J, Wijeratne EM, Bashyal BP, Zhan J, Seliga CJ, Liu MX, Pierson EE, Pierson LS 3rd, VanEtten HD, Gunatilaka AA: Cytotoxic and other metabolites of Aspergillus inhabiting the rhizosphere of Sonoran desert plants. J Nat Prod. 2004 Dec;67(12):1985-91. doi: 10.1021/np040139d. [PubMed:15620238 ]
Ye X, Anjum K, Song T, Wang W, Yu S, Huang H, Lian XY, Zhang Z: A new curvularin glycoside and its cytotoxic and antibacterial analogues from marine actinomycete Pseudonocardia sp. HS7. Nat Prod Res. 2016;30(10):1156-61. doi: 10.1080/14786419.2015.1047775. Epub 2015 Jun 29. [PubMed:26119337 ]
LOTUS database [Link]

Showing NP-Card for (4s)-8,11,13-trihydroxy-4-methyl-4,5,6,7,8,9-hexahydro-1h-3-benzoxacyclododecine-2,10-dione (NP0288425)

MOL for NP0288425 ((4s)-8,11,13-trihydroxy-4-methyl-4,5,6,7,8,9-hexahydro-1h-3-benzoxacyclododecine-2,10-dione)

3D MOL for NP0288425 ((4s)-8,11,13-trihydroxy-4-methyl-4,5,6,7,8,9-hexahydro-1h-3-benzoxacyclododecine-2,10-dione)

3D SDF for NP0288425 ((4s)-8,11,13-trihydroxy-4-methyl-4,5,6,7,8,9-hexahydro-1h-3-benzoxacyclododecine-2,10-dione)

3D-SDF for NP0288425 ((4s)-8,11,13-trihydroxy-4-methyl-4,5,6,7,8,9-hexahydro-1h-3-benzoxacyclododecine-2,10-dione)

PDB for NP0288425 ((4s)-8,11,13-trihydroxy-4-methyl-4,5,6,7,8,9-hexahydro-1h-3-benzoxacyclododecine-2,10-dione)

3D PDB for NP0288425 ((4s)-8,11,13-trihydroxy-4-methyl-4,5,6,7,8,9-hexahydro-1h-3-benzoxacyclododecine-2,10-dione)

SMILES for NP0288425 ((4s)-8,11,13-trihydroxy-4-methyl-4,5,6,7,8,9-hexahydro-1h-3-benzoxacyclododecine-2,10-dione)

INCHI for NP0288425 ((4s)-8,11,13-trihydroxy-4-methyl-4,5,6,7,8,9-hexahydro-1h-3-benzoxacyclododecine-2,10-dione)

Structure for NP0288425 ((4s)-8,11,13-trihydroxy-4-methyl-4,5,6,7,8,9-hexahydro-1h-3-benzoxacyclododecine-2,10-dione)

3D Structure for NP0288425 ((4s)-8,11,13-trihydroxy-4-methyl-4,5,6,7,8,9-hexahydro-1h-3-benzoxacyclododecine-2,10-dione)