NP-MRD: Showing NP-Card for (1r,9r,10r,13s)-7-hydroxy-5,9,13-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadeca-4,7,14-trien-6-one (NP0214884)

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Record Information

Version

2.0

Created at

2022-09-05 14:18:29 UTC

Updated at

2022-09-05 14:18:29 UTC

NP-MRD ID

NP0214884

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1r,9r,10r,13s)-7-hydroxy-5,9,13-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadeca-4,7,14-trien-6-one

Description

(1R,9R,10R,13S)-7-hydroxy-5,9,13-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]Hexadeca-4,7,14-trien-6-one belongs to the class of organic compounds known as cyclic ketones. These are organic compounds containing a ketone that is conjugated to a cyclic moiety. (1r,9r,10r,13s)-7-hydroxy-5,9,13-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadeca-4,7,14-trien-6-one is found in Ballota africana. Based on a literature review very few articles have been published on (1R,9R,10R,13S)-7-hydroxy-5,9,13-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]Hexadeca-4,7,14-trien-6-one.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 45 48  0  0  0  0  0  0  0  0999 V2000
   -3.9176    1.6678    0.3537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0832    0.4051    0.2638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8047    0.4517    0.5300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2338    1.7916    0.9138 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0482    2.0325    0.1429 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9253    0.8453    0.0087 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7874    0.5862    1.1694 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8915   -0.0122    0.7321 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9814    0.1146   -0.7526 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3797    0.4106   -1.1461 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4135   -1.1021   -1.4461 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1161   -1.5208   -0.7944 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2257   -0.3858   -0.4676 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9107   -0.7194    0.4681 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4262   -0.9309    1.8934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5989   -1.9300    0.0357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8760   -2.0149   -0.2468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4628   -3.2222   -0.6526 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7186   -0.8371   -0.1476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9536   -0.8641   -0.4024 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0170    1.2525   -1.0165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6761    2.3699   -0.4659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7859    2.1301    1.3350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9825    1.3631    0.2631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500    2.5574    0.5868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0365    1.8984    1.9736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2522    2.3538   -0.8930 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5970    2.8716    0.5821 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6250    0.8138    2.2131 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6381   -0.5248    1.3285 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7149    1.3019   -0.5568 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0220   -0.4200   -0.8342 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    0.6475   -2.2091 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1159   -1.9392   -1.4627 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1885   -0.8112   -2.4927 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3797   -2.1690    0.0678 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6127   -2.2103   -1.5292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2820   -0.0895   -1.4368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5638   -0.0352    2.5288 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5603   -1.3601    1.9896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1323   -1.6898    2.3466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0414   -2.8710   -0.0762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0868   -3.6719    0.0187 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6066    1.2440   -2.0306 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4210    2.2221   -0.6854 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  1  0
  5  6  1  0
  6 21  1  0
 21  9  1  0
  9 10  1  1
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  1
 14 16  1  0
 16 17  2  0
 17 18  1  0
 17 19  1  0
 19 20  2  0
  9  8  1  0
  8  7  2  0
 19  2  1  0
 14  3  1  0
 13  6  1  0
  6  7  1  1
  1 22  1  0
  1 23  1  0
  1 24  1  0
  4 25  1  0
  4 26  1  0
  5 27  1  0
  5 28  1  0
 21 44  1  0
 21 45  1  0
 10 31  1  0
 10 32  1  0
 10 33  1  0
 11 34  1  0
 11 35  1  0
 12 36  1  0
 12 37  1  0
 13 38  1  6
 15 39  1  0
 15 40  1  0
 15 41  1  0
 16 42  1  0
 18 43  1  0
  8 30  1  0
  7 29  1  0
M  END


  Mrv1652309052216182D          

 21 24  0  0  1  0            999 V2000
    5.0125    1.3820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7638    0.5954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9582    0.4175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4039    1.0366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5946    0.8699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2893    0.0832    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4794    0.4660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8566   -0.1407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2377   -0.9152    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5480   -1.3678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7976   -1.5743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6431   -1.4156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8883   -0.5708    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7095   -0.3691    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4700   -1.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2663   -0.9778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0719   -0.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6288   -1.4086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3206   -0.0133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1262    0.1646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8140   -0.4494    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
  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
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  1  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 12  1  6  0  0  0
  6 13  1  0  0  0  0
 13 14  1  0  0  0  0
  3 14  1  0  0  0  0
 14 15  1  6  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
  2 19  1  0  0  0  0
 19 20  2  0  0  0  0
  9 21  1  0  0  0  0
  6 21  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0214884

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1=C2CC[C@]34C[C@](C)(CC[C@H]3[C@]2(C)C=C(O)C1=O)C=C4

> <INCHI_IDENTIFIER>
InChI=1S/C19H24O2/c1-12-13-4-7-19-9-8-17(2,11-19)6-5-15(19)18(13,3)10-14(20)16(12)21/h8-10,15,20H,4-7,11H2,1-3H3/t15-,17+,18+,19-/m0/s1

> <INCHI_KEY>
SUALLALKHVDKAE-AITUJVMLSA-N

> <FORMULA>
C19H24O2

> <MOLECULAR_WEIGHT>
284.399

> <EXACT_MASS>
284.177630013

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
45

> <JCHEM_AVERAGE_POLARIZABILITY>
32.56342451613132

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1R,9R,10R,13S)-7-hydroxy-5,9,13-trimethyltetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadeca-4,7,14-trien-6-one

> <JCHEM_LOGP>
3.6774883643333327

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.15564863276432

> <JCHEM_PKA_STRONGEST_BASIC>
-3.2861792880288876

> <JCHEM_POLAR_SURFACE_AREA>
37.3

> <JCHEM_REFRACTIVITY>
86.77419999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(1R,9R,10R,13S)-7-hydroxy-5,9,13-trimethyltetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadeca-4,7,14-trien-6-one

> <JCHEM_VEBER_RULE>
1

$$$$

HEADER    PROTEIN                                 05-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-SEP-22         0                                  
HETATM    1  C   UNK     0       9.357   2.580   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       8.892   1.111   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       7.389   0.779   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.354   1.935   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.843   1.624   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.273   0.155   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.761   0.870   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.599  -0.263   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.310  -1.708   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.023  -2.553   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       3.356  -2.939   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.934  -2.642   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       5.392  -1.066   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.924  -0.689   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       6.477  -2.163   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       7.964  -1.825   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       9.468  -1.493   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      10.507  -2.629   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       9.932  -0.025   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      11.436   0.307   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       3.386  -0.839   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   19                                                  
CONECT    3    2    4   14                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   13   21                                             
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   11   21                                             
CONECT   10    9                                                            
CONECT   11    9   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12    6   14                                                  
CONECT   14   13    3   15   16                                             
CONECT   15   14                                                            
CONECT   16   14   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17    2   20                                                  
CONECT   20   19                                                            
CONECT   21    9    6                                                       
MASTER        0    0    0    0    0    0    0    0   21    0   48    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₉H₂₄O₂

Average Mass

284.3990 Da

Monoisotopic Mass

284.17763 Da

IUPAC Name

(1R,9R,10R,13S)-7-hydroxy-5,9,13-trimethyltetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadeca-4,7,14-trien-6-one

Traditional Name

(1R,9R,10R,13S)-7-hydroxy-5,9,13-trimethyltetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadeca-4,7,14-trien-6-one

CAS Registry Number

Not Available

SMILES

CC1=C2CC[C@]34C[C@](C)(CC[C@H]3[C@]2(C)C=C(O)C1=O)C=C4

InChI Identifier

InChI=1S/C19H24O2/c1-12-13-4-7-19-9-8-17(2,11-19)6-5-15(19)18(13,3)10-14(20)16(12)21/h8-10,15,20H,4-7,11H2,1-3H3/t15-,17+,18+,19-/m0/s1

InChI Key

SUALLALKHVDKAE-AITUJVMLSA-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
Pseudodictamnus africanus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as cyclic ketones. These are organic compounds containing a ketone that is conjugated to a cyclic moiety.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbonyl compounds

Direct Parent

Cyclic ketones

Alternative Parents

Substituents

Cyclic ketone
Enol
Organic oxide
Hydrocarbon derivative
Aliphatic homopolycyclic compound

Molecular Framework

Aliphatic homopolycyclic 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	3.68	ChemAxon
pKa (Strongest Acidic)	10.16	ChemAxon
pKa (Strongest Basic)	-3.3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	37.3 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	86.77 m³·mol⁻¹	ChemAxon
Polarizability	32.56 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

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DrugBank ID

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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

57641930

KEGG Compound ID

Not Available

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

163034282

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 (1r,9r,10r,13s)-7-hydroxy-5,9,13-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadeca-4,7,14-trien-6-one (NP0214884)

MOL for NP0214884 ((1r,9r,10r,13s)-7-hydroxy-5,9,13-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadeca-4,7,14-trien-6-one)

3D MOL for NP0214884 ((1r,9r,10r,13s)-7-hydroxy-5,9,13-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadeca-4,7,14-trien-6-one)

3D SDF for NP0214884 ((1r,9r,10r,13s)-7-hydroxy-5,9,13-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadeca-4,7,14-trien-6-one)

3D-SDF for NP0214884 ((1r,9r,10r,13s)-7-hydroxy-5,9,13-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadeca-4,7,14-trien-6-one)

PDB for NP0214884 ((1r,9r,10r,13s)-7-hydroxy-5,9,13-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadeca-4,7,14-trien-6-one)

3D PDB for NP0214884 ((1r,9r,10r,13s)-7-hydroxy-5,9,13-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadeca-4,7,14-trien-6-one)

SMILES for NP0214884 ((1r,9r,10r,13s)-7-hydroxy-5,9,13-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadeca-4,7,14-trien-6-one)

INCHI for NP0214884 ((1r,9r,10r,13s)-7-hydroxy-5,9,13-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadeca-4,7,14-trien-6-one)

Structure for NP0214884 ((1r,9r,10r,13s)-7-hydroxy-5,9,13-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadeca-4,7,14-trien-6-one)

3D Structure for NP0214884 ((1r,9r,10r,13s)-7-hydroxy-5,9,13-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadeca-4,7,14-trien-6-one)