NP-MRD: Showing NP-Card for 12-hydroxy-7-(3-hydroxyprop-1-en-2-yl)-4-methyl-3,14-dioxatetracyclo[10.2.1.0²,¹⁰.0⁴,⁸]pentadec-2(10)-en-11-one (NP0246926)

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Record Information

Version

2.0

Created at

2022-09-07 08:33:06 UTC

Updated at

2022-09-07 08:33:07 UTC

NP-MRD ID

NP0246926

Secondary Accession Numbers

None

Natural Product Identification

Common Name

12-hydroxy-7-(3-hydroxyprop-1-en-2-yl)-4-methyl-3,14-dioxatetracyclo[10.2.1.0²,¹⁰.0⁴,⁸]pentadec-2(10)-en-11-one

Description

12-Hydroxy-7-(3-hydroxyprop-1-en-2-yl)-4-methyl-3,14-dioxatetracyclo[10.2.1.0²,¹⁰.0⁴,⁸]Pentadec-2(10)-en-11-one belongs to the class of organic compounds known as cyclohexenones. Cyclohexenones are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond. Based on a literature review very few articles have been published on 12-hydroxy-7-(3-hydroxyprop-1-en-2-yl)-4-methyl-3,14-dioxatetracyclo[10.2.1.0²,¹⁰.0⁴,⁸]Pentadec-2(10)-en-11-one.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 44 47  0  0  0  0  0  0  0  0999 V2000
    4.6120   -0.1384   -0.4616 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4102    0.3151   -0.0122 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4308    1.6811    0.5527 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6350    2.6079   -0.0734 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2838   -0.5607   -0.0886 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6176   -0.9775    1.2068 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3757   -1.7320    0.6951 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3611   -1.5425   -0.8071 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1527   -2.5739   -1.5387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9459   -1.4787   -1.3488 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7366   -0.4737   -0.8483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2163    0.5199   -0.1669 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2176    0.8844   -0.2965 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0694   -0.1687   -0.8940 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0722    1.3147    0.7585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5784    2.0911    1.6084 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5247    1.0996    0.5764 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.2824    1.5938    1.6246 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9302    1.6290   -0.7632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5395    0.7034   -1.6824 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1957   -0.4879   -1.0648 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.7920   -0.3924    0.3519 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6275   -1.1413   -0.8487 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4994    0.4601   -0.4366 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2007    1.5985    1.6519 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4711    2.1321    0.5387 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4703    3.3445    0.5666 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6248   -1.5654   -0.5268 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3808   -0.1707    1.8894 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3207   -1.6899    1.7110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5326   -1.3992    1.1977 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5061   -2.8066    0.9542 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042   -2.0804   -2.2823 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6743   -3.2913   -0.8710 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4446   -3.1894   -2.1649 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5104    1.2200    0.7223 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2719    1.7986   -0.9629 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3236    0.0540   -1.9513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7140    1.4807    2.4502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5312    2.6503   -0.9705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0559    1.6761   -0.7640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5639   -1.3678   -1.6010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2324   -1.0242    1.0453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8526   -0.6023    0.2550 H   0  0  0  0  0  0  0  0  0  0  0  0
  8  9  1  6
  8  7  1  0
  7  6  1  0
  6  5  1  0
  5 14  1  0
 14 13  1  0
 13 12  1  0
 12 11  2  0
 11 10  1  0
 11 21  1  0
 21 22  1  0
 22 17  1  0
 17 18  1  1
 17 19  1  0
 19 20  1  0
 17 15  1  0
 15 16  2  0
  5  2  1  0
  2  1  2  3
  2  3  1  0
  3  4  1  0
 14  8  1  0
 15 12  1  0
 10  8  1  0
 20 21  1  0
  9 33  1  0
  9 34  1  0
  9 35  1  0
  7 31  1  0
  7 32  1  0
  6 29  1  0
  6 30  1  0
  5 28  1  6
 14 38  1  6
 13 36  1  0
 13 37  1  0
 21 42  1  6
 22 43  1  0
 22 44  1  0
 18 39  1  0
 19 40  1  0
 19 41  1  0
  1 23  1  0
  1 24  1  0
  3 25  1  0
  3 26  1  0
  4 27  1  0
M  END


  Mrv1652309072210332D          

 22 25  0  0  0  0            999 V2000
    4.3559    2.9813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8655    2.3325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6821    2.4493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9893    3.2150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5583    1.5668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9972    0.8682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4684    0.2349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7027    0.5421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7336   -0.2823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9621    0.1786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2770    0.6383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3326    1.4614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0732    1.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7583    1.3652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7236    2.0181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9610    2.8082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9088    1.8890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4390    2.5672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5016    1.1715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8087    0.4058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5989    0.1685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0388    0.9425    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  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  5 14  1  0  0  0  0
  8 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 11 21  1  0  0  0  0
 21 22  1  0  0  0  0
 17 22  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0246926

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC12CCC(C1CC1=C(O2)C2CC(O)(CO2)C1=O)C(=C)CO

> <INCHI_IDENTIFIER>
InChI=1S/C17H22O5/c1-9(7-18)10-3-4-16(2)12(10)5-11-14(22-16)13-6-17(20,8-21-13)15(11)19/h10,12-13,18,20H,1,3-8H2,2H3

> <INCHI_KEY>
RADDUHIWJIUFSD-UHFFFAOYSA-N

> <FORMULA>
C17H22O5

> <MOLECULAR_WEIGHT>
306.358

> <EXACT_MASS>
306.146723808

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
44

> <JCHEM_AVERAGE_POLARIZABILITY>
32.041623230387415

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
12-hydroxy-7-(3-hydroxyprop-1-en-2-yl)-4-methyl-3,14-dioxatetracyclo[10.2.1.0^{2,10}.0^{4,8}]pentadec-2(10)-en-11-one

> <JCHEM_LOGP>
0.17858391566666854

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
16.88141327809785

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.157923146461687

> <JCHEM_PKA_STRONGEST_BASIC>
-1.9728407109421116

> <JCHEM_POLAR_SURFACE_AREA>
75.99000000000001

> <JCHEM_REFRACTIVITY>
80.42249999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
12-hydroxy-7-(3-hydroxyprop-1-en-2-yl)-4-methyl-3,14-dioxatetracyclo[10.2.1.0^{2,10}.0^{4,8}]pentadec-2(10)-en-11-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 07-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-SEP-22         0                                  
HETATM    1  C   UNK     0       8.131   5.565   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       9.082   4.354   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      10.607   4.572   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      11.180   6.001   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       8.509   2.925   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       9.328   1.621   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       8.341   0.439   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.912   1.012   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       6.969  -0.527   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       5.529   0.333   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       4.250   1.191   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.354   2.728   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       5.737   3.406   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       7.015   2.548   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       3.217   3.767   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       3.660   5.242   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       1.696   3.526   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       0.819   4.792   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       0.936   2.187   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       1.510   0.757   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       2.985   0.315   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       1.939   1.759   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    5                                                  
CONECT    3    2    4                                                       
CONECT    4    3                                                            
CONECT    5    2    6   14                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   10   14                                             
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   10   12   21                                                  
CONECT   12   11   13   15                                                  
CONECT   13   12   14                                                       
CONECT   14   13    5    8                                                  
CONECT   15   12   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18   19   22                                             
CONECT   18   17                                                            
CONECT   19   17   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   11   22                                                  
CONECT   22   21   17                                                       
MASTER        0    0    0    0    0    0    0    0   22    0   50    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₇H₂₂O₅

Average Mass

306.3580 Da

Monoisotopic Mass

306.14672 Da

IUPAC Name

12-hydroxy-7-(3-hydroxyprop-1-en-2-yl)-4-methyl-3,14-dioxatetracyclo[10.2.1.0^{2,10}.0^{4,8}]pentadec-2(10)-en-11-one

Traditional Name

12-hydroxy-7-(3-hydroxyprop-1-en-2-yl)-4-methyl-3,14-dioxatetracyclo[10.2.1.0^{2,10}.0^{4,8}]pentadec-2(10)-en-11-one

CAS Registry Number

Not Available

SMILES

CC12CCC(C1CC1=C(O2)C2CC(O)(CO2)C1=O)C(=C)CO

InChI Identifier

InChI=1S/C17H22O5/c1-9(7-18)10-3-4-16(2)12(10)5-11-14(22-16)13-6-17(20,8-21-13)15(11)19/h10,12-13,18,20H,1,3-8H2,2H3

InChI Key

RADDUHIWJIUFSD-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 cyclohexenones. Cyclohexenones are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbonyl compounds

Direct Parent

Cyclohexenones

Alternative Parents

Substituents

Cyclohexenone
Vinylogous ester
Tetrahydrofuran
Tertiary alcohol
Oxacycle
Organoheterocyclic compound
Ether
Dialkyl ether
Organic oxide
Hydrocarbon derivative
Primary alcohol
Alcohol
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic 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	0.18	ChemAxon
pKa (Strongest Acidic)	12.16	ChemAxon
pKa (Strongest Basic)	-2	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	75.99 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	80.42 m³·mol⁻¹	ChemAxon
Polarizability	32.04 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

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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

162902155

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 12-hydroxy-7-(3-hydroxyprop-1-en-2-yl)-4-methyl-3,14-dioxatetracyclo[10.2.1.0²,¹⁰.0⁴,⁸]pentadec-2(10)-en-11-one (NP0246926)

MOL for NP0246926 (12-hydroxy-7-(3-hydroxyprop-1-en-2-yl)-4-methyl-3,14-dioxatetracyclo[10.2.1.0²,¹⁰.0⁴,⁸]pentadec-2(10)-en-11-one)

3D MOL for NP0246926 (12-hydroxy-7-(3-hydroxyprop-1-en-2-yl)-4-methyl-3,14-dioxatetracyclo[10.2.1.0²,¹⁰.0⁴,⁸]pentadec-2(10)-en-11-one)

3D SDF for NP0246926 (12-hydroxy-7-(3-hydroxyprop-1-en-2-yl)-4-methyl-3,14-dioxatetracyclo[10.2.1.0²,¹⁰.0⁴,⁸]pentadec-2(10)-en-11-one)

3D-SDF for NP0246926 (12-hydroxy-7-(3-hydroxyprop-1-en-2-yl)-4-methyl-3,14-dioxatetracyclo[10.2.1.0²,¹⁰.0⁴,⁸]pentadec-2(10)-en-11-one)

PDB for NP0246926 (12-hydroxy-7-(3-hydroxyprop-1-en-2-yl)-4-methyl-3,14-dioxatetracyclo[10.2.1.0²,¹⁰.0⁴,⁸]pentadec-2(10)-en-11-one)

3D PDB for NP0246926 (12-hydroxy-7-(3-hydroxyprop-1-en-2-yl)-4-methyl-3,14-dioxatetracyclo[10.2.1.0²,¹⁰.0⁴,⁸]pentadec-2(10)-en-11-one)

SMILES for NP0246926 (12-hydroxy-7-(3-hydroxyprop-1-en-2-yl)-4-methyl-3,14-dioxatetracyclo[10.2.1.0²,¹⁰.0⁴,⁸]pentadec-2(10)-en-11-one)

INCHI for NP0246926 (12-hydroxy-7-(3-hydroxyprop-1-en-2-yl)-4-methyl-3,14-dioxatetracyclo[10.2.1.0²,¹⁰.0⁴,⁸]pentadec-2(10)-en-11-one)

Structure for NP0246926 (12-hydroxy-7-(3-hydroxyprop-1-en-2-yl)-4-methyl-3,14-dioxatetracyclo[10.2.1.0²,¹⁰.0⁴,⁸]pentadec-2(10)-en-11-one)

3D Structure for NP0246926 (12-hydroxy-7-(3-hydroxyprop-1-en-2-yl)-4-methyl-3,14-dioxatetracyclo[10.2.1.0²,¹⁰.0⁴,⁸]pentadec-2(10)-en-11-one)