NP-MRD: Showing NP-Card for (+)-Sarcophine (NP0070663)

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Record Information

Version

2.0

Created at

2022-04-28 16:07:15 UTC

Updated at

2022-04-28 16:07:15 UTC

NP-MRD ID

NP0070663

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(+)-Sarcophine

Description

Sarcophine 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. (+)-Sarcophine is found in Sarcophyton auritum, Sarcophyton ehrenbergi, Sarcophyton glaucum, Sarcophyton mililatensis and Sarcophyton trocheliophorum. (+)-Sarcophine was first documented in 2018 (PMID: 30830394). Based on a literature review a small amount of articles have been published on Sarcophine (PMID: 34585632) (PMID: 34569875) (PMID: 32702364) (PMID: 31536833).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 51 53  0  0  0  0  0  0  0  0999 V2000
    4.5721   -0.6262    1.2713 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3799    0.2910    1.3467 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3004    0.1837    0.6009 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9633   -0.8041   -0.4628 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2096   -1.9917    0.0954 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2216   -2.4666   -0.9352 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7641   -2.5794   -2.3320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0304   -2.7602   -0.6221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6667   -2.6905    0.6913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1292   -1.3656    1.1699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8646   -0.5062    0.2004 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.2784   -0.0490    0.5856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7224   -0.6370   -1.1703 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0002    0.3395   -0.5324 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2874    1.7899   -0.6426 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2513    2.5450    0.1983 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0271    2.7218   -0.5441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0541    3.6203   -1.7640 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1664    2.1549   -0.1966 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3641    1.2537    0.9817 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0223    1.9903    1.9620 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2440    1.4243    2.2251 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0922    1.8366    3.0904 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4613   -0.0588    0.8869 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7415   -1.0569    2.2669 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3847   -1.4274    0.5415 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8723   -1.1507   -0.9448 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3470   -0.2880   -1.2561 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9529   -2.7993    0.2622 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7577   -1.7850    1.0629 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8345   -2.7805   -2.3512 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4892   -1.7225   -2.9594 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2668   -3.5000   -2.7566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6684   -3.0995   -1.4630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5524   -3.3953    0.7516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0036   -3.0916    1.5199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3149   -0.7821    1.6963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8368   -1.5768    2.0320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5933   -0.7046    1.4507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2950    0.9724    0.9675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0016   -0.2655   -0.2152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8950    0.1384   -0.5158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2895    2.1129   -0.3909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0813    2.0971   -1.7069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1459    2.1222    1.1968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6357    3.5977    0.3718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7272    4.4736   -1.5375 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9386    4.0093   -2.0259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4773    3.0639   -2.6013 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0391    2.3741   -0.8413 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3897    0.8485    1.3418 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  7  1  0
  6  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  6
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 22  2  1  0
 20  3  1  0
 14 11  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  4 27  1  0
  4 28  1  0
  5 29  1  0
  5 30  1  0
  7 31  1  0
  7 32  1  0
  7 33  1  0
  8 34  1  0
  9 35  1  0
  9 36  1  0
 10 37  1  0
 10 38  1  0
 12 39  1  0
 12 40  1  0
 12 41  1  0
 14 42  1  1
 15 43  1  0
 15 44  1  0
 16 45  1  0
 16 46  1  0
 18 47  1  0
 18 48  1  0
 18 49  1  0
 19 50  1  0
 20 51  1  1
M  END


  Mrv1652304282218072D          

 23 25  0  0  1  0            999 V2000
    7.9549    2.7078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1248    1.9005    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.9275    1.0994    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4022    0.4632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6530    0.1180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9159    0.4885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0910    0.5026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5876    1.1562    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4178    1.9636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5975    2.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2604    1.2985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4530    1.1286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8723    0.7452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1864    2.7668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6150    2.7646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1403    3.4008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9652    3.3868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7145    3.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4516    3.3615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350    2.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1131    1.2896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7199    1.3291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8461    2.3007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  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  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
  8 13  1  6  0  0  0
 10 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
  1 19  1  0  0  0  0
 17 20  1  0  0  0  0
  6 21  1  0  0  0  0
  3 22  1  1  0  0  0
  2 22  1  0  0  0  0
  2 23  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0070663

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1=C2CC\C(C)=C\CC[C@]3(C)O[C@H]3CC\C(C)=C\[C@@H]2OC1=O

> <INCHI_IDENTIFIER>
InChI=1S/C20H28O3/c1-13-6-5-11-20(4)18(23-20)10-8-14(2)12-17-16(9-7-13)15(3)19(21)22-17/h6,12,17-18H,5,7-11H2,1-4H3/b13-6+,14-12+/t17-,18-,20-/m0/s1

> <INCHI_KEY>
CGAKBBMRMLAYMY-BUHUPKIQSA-N

> <FORMULA>
C20H28O3

> <MOLECULAR_WEIGHT>
316.441

> <EXACT_MASS>
316.203844762

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
51

> <JCHEM_AVERAGE_POLARIZABILITY>
36.25843828894607

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1S,2E,6S,8S,11E)-3,8,12,16-tetramethyl-7,18-dioxatricyclo[13.3.0.0^{6,8}]octadeca-2,11,15-trien-17-one

> <ALOGPS_LOGP>
4.87

> <JCHEM_LOGP>
4.5514616483333326

> <ALOGPS_LOGS>
-4.38

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.703987928070784

> <JCHEM_PKA_STRONGEST_BASIC>
-4.223599962562422

> <JCHEM_POLAR_SURFACE_AREA>
38.83

> <JCHEM_REFRACTIVITY>
93.23840000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.31e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1S,2E,6S,8S,11E)-3,8,12,16-tetramethyl-7,18-dioxatricyclo[13.3.0.0^{6,8}]octadeca-2,11,15-trien-17-one

> <JCHEM_VEBER_RULE>
1

$$$$

HEADER    PROTEIN                                 28-APR-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   28-APR-22         0                                  
HETATM    1  C   UNK     0      14.849   5.055   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      15.166   3.548   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      14.798   2.052   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      13.818   0.865   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      12.419   0.220   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      11.043   0.912   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       9.503   0.938   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       8.564   2.158   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       8.247   3.665   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       6.715   3.829   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.086   2.424   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       4.579   2.107   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0       7.228   1.391   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       5.948   5.165   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       8.615   5.161   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       9.595   6.348   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      11.135   6.322   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      12.534   6.966   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      13.910   6.275   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      11.452   4.815   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      11.411   2.407   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      16.277   2.481   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      16.513   4.295   0.000  0.00  0.00           C+0
CONECT    1    2   19                                                       
CONECT    2    1    3   22   23                                             
CONECT    3    2    4   22                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   21                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   13                                                  
CONECT    9    8   10   15                                                  
CONECT   10    9   11   14                                                  
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11    8                                                       
CONECT   14   10                                                            
CONECT   15    9   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   20                                                  
CONECT   18   17   19                                                       
CONECT   19   18    1                                                       
CONECT   20   17                                                            
CONECT   21    6                                                            
CONECT   22    3    2                                                       
CONECT   23    2                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   50    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₀H₂₈O₃

Average Mass

316.4410 Da

Monoisotopic Mass

316.20384 Da

IUPAC Name

(1S,2E,6S,8S,11E)-3,8,12,16-tetramethyl-7,18-dioxatricyclo[13.3.0.0^{6,8}]octadeca-2,11,15-trien-17-one

Traditional Name

(1S,2E,6S,8S,11E)-3,8,12,16-tetramethyl-7,18-dioxatricyclo[13.3.0.0^{6,8}]octadeca-2,11,15-trien-17-one

CAS Registry Number

Not Available

SMILES

CC1=C2CC\C(C)=C\CC[C@]3(C)O[C@H]3CC\C(C)=C\[C@@H]2OC1=O

InChI Identifier

InChI=1S/C20H28O3/c1-13-6-5-11-20(4)18(23-20)10-8-14(2)12-17-16(9-7-13)15(3)19(21)22-17/h6,12,17-18H,5,7-11H2,1-4H3/b13-6+,14-12+/t17-,18-,20-/m0/s1

InChI Key

CGAKBBMRMLAYMY-BUHUPKIQSA-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, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, 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
Sarcophyton auritum	LOTUS Database	35616633
Sarcophyton ehrenbergi	LOTUS Database	35616633
Sarcophyton glaucum	Plant	KNApSAcK
Sarcophyton mililatensis	Plant	KNApSAcK
Sarcophyton trocheliophorum	Plant	KNApSAcK

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
2-furanone
Dihydrofuran
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Carboxylic acid ester
Lactone
Carboxylic acid derivative
Dialkyl ether
Oxirane
Ether
Oxacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Carbonyl group
Organic oxide
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
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	4.87	ALOGPS
logP	4.55	ChemAxon
logS	-4.4	ALOGPS
pKa (Strongest Acidic)	13.7	ChemAxon
pKa (Strongest Basic)	-4.2	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	38.83 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	93.24 m³·mol⁻¹	ChemAxon
Polarizability	36.26 Å³	ChemAxon
Number of Rings	3	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

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00029307

Chemspider ID

4941416

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

6436805

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Zidan SAH, Abdelhamid RA, Alian A, Fouad MA, Matsunami K, Orabi MAA: Diterpenes and sterols from the Red Sea soft coral Sarcophyton trocheliophorum and their cytotoxicity and anti-leishmanial activities. J Asian Nat Prod Res. 2021 Sep 29:1-9. doi: 10.1080/10286020.2021.1979522. [PubMed:34585632 ]
Ren L, Leng X, Li T, Liu J, Wang W, Yan X, Yan X, He S: Four new cembranoids from the South China Sea soft coral Sarcophyton trocheliophorum. Nat Prod Res. 2021 Sep 27:1-8. doi: 10.1080/14786419.2021.1948041. [PubMed:34569875 ]
Saleh HA, Raafat KM, Temraz TA, Noureldin N, Breitinger HG, Breitinger U: Sarcophine and (7S, 8R)-dihydroxydeepoxysarcophine from the Red Sea soft coral Sarcophyton glaucum as in vitro and in vivo modulators of glycine receptors. Neurotoxicology. 2020 Sep;80:105-111. doi: 10.1016/j.neuro.2020.07.002. Epub 2020 Jul 20. [PubMed:32702364 ]
Kwofie SK, Broni E, Teye J, Quansah E, Issah I, Wilson MD, Miller WA 3rd, Tiburu EK, Bonney JHK: Pharmacoinformatics-based identification of potential bioactive compounds against Ebola virus protein VP24. Comput Biol Med. 2019 Oct;113:103414. doi: 10.1016/j.compbiomed.2019.103414. Epub 2019 Aug 28. [PubMed:31536833 ]
Farag MA, Maamoun AA, Meyer A, Wessjohann LA: Salicylic acid and its derivatives elicit the production of diterpenes and sterols in corals and their algal symbionts: a metabolomics approach to elicitor SAR. Metabolomics. 2018 Sep 17;14(10):127. doi: 10.1007/s11306-018-1416-y. [PubMed:30830394 ]

Showing NP-Card for (+)-Sarcophine (NP0070663)

MOL for NP0070663 ((+)-Sarcophine)

3D MOL for NP0070663 ((+)-Sarcophine)

3D SDF for NP0070663 ((+)-Sarcophine)

3D-SDF for NP0070663 ((+)-Sarcophine)

PDB for NP0070663 ((+)-Sarcophine)

3D PDB for NP0070663 ((+)-Sarcophine)

SMILES for NP0070663 ((+)-Sarcophine)

INCHI for NP0070663 ((+)-Sarcophine)

Structure for NP0070663 ((+)-Sarcophine)

3D Structure for NP0070663 ((+)-Sarcophine)