NP-MRD: Showing NP-Card for 12-hydroxy-4-methyl-7-(prop-1-en-2-yl)-3,14-dioxatetracyclo[10.2.1.0²,¹⁰.0⁴,⁸]pentadec-2(10)-en-11-one (NP0291120)

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Record Information

Version

2.0

Created at

2022-09-09 22:05:42 UTC

Updated at

2022-09-09 22:05:42 UTC

NP-MRD ID

NP0291120

Secondary Accession Numbers

None

Natural Product Identification

Common Name

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

Description

12-Hydroxy-4-methyl-7-(prop-1-en-2-yl)-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. 12-hydroxy-4-methyl-7-(prop-1-en-2-yl)-3,14-dioxatetracyclo[10.2.1.0²,¹⁰.0⁴,⁸]pentadec-2(10)-en-11-one is found in Phyllosticta capitalensis. 12-Hydroxy-4-methyl-7-(prop-1-en-2-yl)-3,14-dioxatetracyclo[10.2.1.0²,¹⁰.0⁴,⁸]Pentadec-2(10)-en-11-one is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 43 46  0  0  0  0  0  0  0  0999 V2000
    3.3803    1.2958    1.1024 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5034    0.2473    0.3425 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9027   -0.3246    0.2163 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3877   -0.3686   -0.3721 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0540   -1.7490    0.2228 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4408   -1.2521    1.5403 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3991   -0.3061    0.9931 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0792    0.6789    2.0338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7042   -1.1394    0.6267 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6349   -0.6789   -0.2844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1947    0.1631   -1.2139 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2380    0.2299   -1.4504 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0747    0.3374   -0.1737 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2009    0.9707   -1.9426 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8310    1.7615   -2.8036 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5903    0.6915   -1.5017 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.5497    1.3139   -2.2347 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6511    0.9738   -0.0225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7000   -0.2287    0.6513 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0270   -1.1354   -0.1767 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.7324   -0.8368   -1.5094 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2587    1.7102    1.6025 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4690    1.8094    1.3001 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4484    0.1423   -0.6215 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8716   -1.4167    0.0818 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4724   -0.1179    1.1414 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5643   -0.4740   -1.4537 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2327   -2.1514   -0.3981 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9201   -2.3794    0.3570 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9958   -2.0834    2.1065 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2257   -0.7129    2.1028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9909    0.2704    2.5153 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7081    0.9371    2.7524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3980    1.5963    1.4971 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4523    1.0740   -2.1289 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5571   -0.6971   -1.9886 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1544    1.4222    0.0032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1469    1.8393   -1.6238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4864    1.6569    0.2501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7231    1.5019    0.3455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1449   -2.1712    0.1262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1509   -1.2478   -2.3478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7746   -1.1524   -1.4734 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  0
  2  1  2  3
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  1
  7  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 11 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  6
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 13  4  1  0
 21 16  1  0
 13  7  1  0
 20 10  1  0
  3 24  1  0
  3 25  1  0
  3 26  1  0
  1 22  1  0
  1 23  1  0
  4 27  1  6
  5 28  1  0
  5 29  1  0
  6 30  1  0
  6 31  1  0
  8 32  1  0
  8 33  1  0
  8 34  1  0
 12 35  1  0
 12 36  1  0
 13 37  1  1
 17 38  1  0
 18 39  1  0
 18 40  1  0
 20 41  1  1
 21 42  1  0
 21 43  1  0
M  END


  Mrv1533004171507052D          

 21 24  0  0  0  0            999 V2000
    5.6821    2.4493    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
    4.3559    2.9813    0.0000 C   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  1  0  0  0  0
  2  3  2  0  0  0  0
  2  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
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  4 13  1  0  0  0  0
  7 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 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
 10 20  1  0  0  0  0
 20 21  1  0  0  0  0
 16 21  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0291120

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(=C)C1CCC2(C)OC3=C(CC12)C(=O)C1(O)COC3C1

> <INCHI_IDENTIFIER>
InChI=1S/C17H22O4/c1-9(2)10-4-5-16(3)12(10)6-11-14(21-16)13-7-17(19,8-20-13)15(11)18/h10,12-13,19H,1,4-8H2,2-3H3

> <INCHI_KEY>
PDDUOBCTLLRRFF-UHFFFAOYSA-N

> <FORMULA>
C17H22O4

> <MOLECULAR_WEIGHT>
290.359

> <EXACT_MASS>
290.151809188

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
43

> <JCHEM_AVERAGE_POLARIZABILITY>
31.09669155332776

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

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

> <ALOGPS_LOGP>
0.86

> <JCHEM_LOGP>
1.4593550723333335

> <ALOGPS_LOGS>
-2.52

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.157923149658563

> <JCHEM_PKA_STRONGEST_BASIC>
-4.041924414339342

> <JCHEM_POLAR_SURFACE_AREA>
55.760000000000005

> <JCHEM_REFRACTIVITY>
78.64779999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.76e-01 g/l

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

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 17-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-APR-15         0                                  
HETATM    1  C   UNK     0      10.607   4.572   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       8.131   5.565   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       8.509   2.925   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       9.328   1.621   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       8.341   0.439   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.912   1.012   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.969  -0.527   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       5.529   0.333   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       4.250   1.191   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.354   2.728   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       5.737   3.406   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       7.015   2.548   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       3.217   3.767   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       3.660   5.242   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       1.696   3.526   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       0.819   4.792   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       0.936   2.187   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       1.510   0.757   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       2.985   0.315   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       1.939   1.759   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5   13                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8    9   13                                             
CONECT    8    7                                                            
CONECT    9    7   10                                                       
CONECT   10    9   11   20                                                  
CONECT   11   10   12   14                                                  
CONECT   12   11   13                                                       
CONECT   13   12    4    7                                                  
CONECT   14   11   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17   18   21                                             
CONECT   17   16                                                            
CONECT   18   16   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   10   21                                                  
CONECT   21   20   16                                                       
MASTER        0    0    0    0    0    0    0    0   21    0   48    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₇H₂₂O₄

Average Mass

290.3590 Da

Monoisotopic Mass

290.15181 Da

IUPAC Name

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

Traditional Name

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

CAS Registry Number

Not Available

SMILES

CC(=C)C1CCC2(C)OC3=C(CC12)C(=O)C1(O)COC3C1

InChI Identifier

InChI=1S/C17H22O4/c1-9(2)10-4-5-16(3)12(10)6-11-14(21-16)13-7-17(19,8-20-13)15(11)18/h10,12-13,19H,1,4-8H2,2-3H3

InChI Key

PDDUOBCTLLRRFF-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
Phyllosticta capitalensis	LOTUS Database	35616633

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
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	0.86	ALOGPS
logP	1.46	ChemAxon
logS	-2.5	ALOGPS
pKa (Strongest Acidic)	12.16	ChemAxon
pKa (Strongest Basic)	-4	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	55.76 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	78.65 m³·mol⁻¹	ChemAxon
Polarizability	31.1 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

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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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Wikipedia Link

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METLIN ID

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PubChem Compound

75578419

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-4-methyl-7-(prop-1-en-2-yl)-3,14-dioxatetracyclo[10.2.1.0²,¹⁰.0⁴,⁸]pentadec-2(10)-en-11-one (NP0291120)

MOL for NP0291120 (12-hydroxy-4-methyl-7-(prop-1-en-2-yl)-3,14-dioxatetracyclo[10.2.1.0²,¹⁰.0⁴,⁸]pentadec-2(10)-en-11-one)

3D MOL for NP0291120 (12-hydroxy-4-methyl-7-(prop-1-en-2-yl)-3,14-dioxatetracyclo[10.2.1.0²,¹⁰.0⁴,⁸]pentadec-2(10)-en-11-one)

3D SDF for NP0291120 (12-hydroxy-4-methyl-7-(prop-1-en-2-yl)-3,14-dioxatetracyclo[10.2.1.0²,¹⁰.0⁴,⁸]pentadec-2(10)-en-11-one)

3D-SDF for NP0291120 (12-hydroxy-4-methyl-7-(prop-1-en-2-yl)-3,14-dioxatetracyclo[10.2.1.0²,¹⁰.0⁴,⁸]pentadec-2(10)-en-11-one)

PDB for NP0291120 (12-hydroxy-4-methyl-7-(prop-1-en-2-yl)-3,14-dioxatetracyclo[10.2.1.0²,¹⁰.0⁴,⁸]pentadec-2(10)-en-11-one)

3D PDB for NP0291120 (12-hydroxy-4-methyl-7-(prop-1-en-2-yl)-3,14-dioxatetracyclo[10.2.1.0²,¹⁰.0⁴,⁸]pentadec-2(10)-en-11-one)

SMILES for NP0291120 (12-hydroxy-4-methyl-7-(prop-1-en-2-yl)-3,14-dioxatetracyclo[10.2.1.0²,¹⁰.0⁴,⁸]pentadec-2(10)-en-11-one)

INCHI for NP0291120 (12-hydroxy-4-methyl-7-(prop-1-en-2-yl)-3,14-dioxatetracyclo[10.2.1.0²,¹⁰.0⁴,⁸]pentadec-2(10)-en-11-one)

Structure for NP0291120 (12-hydroxy-4-methyl-7-(prop-1-en-2-yl)-3,14-dioxatetracyclo[10.2.1.0²,¹⁰.0⁴,⁸]pentadec-2(10)-en-11-one)

3D Structure for NP0291120 (12-hydroxy-4-methyl-7-(prop-1-en-2-yl)-3,14-dioxatetracyclo[10.2.1.0²,¹⁰.0⁴,⁸]pentadec-2(10)-en-11-one)