NP-MRD: Showing NP-Card for 19-hydroxy-4,4,16-trimethyl-14,17-bis(3-methylbut-2-en-1-yl)hexacyclo[10.6.1.1¹,¹⁴.0³,¹².0⁵,¹⁰.0¹⁶,¹⁹]icosa-5,7,9-triene-11,13,20-trione (NP0226928)

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Record Information

Version

2.0

Created at

2022-09-06 06:07:12 UTC

Updated at

2022-09-06 06:07:12 UTC

NP-MRD ID

NP0226928

Secondary Accession Numbers

None

Natural Product Identification

Common Name

19-hydroxy-4,4,16-trimethyl-14,17-bis(3-methylbut-2-en-1-yl)hexacyclo[10.6.1.1¹,¹⁴.0³,¹².0⁵,¹⁰.0¹⁶,¹⁹]icosa-5,7,9-triene-11,13,20-trione

Description

19-Hydroxy-4,4,16-trimethyl-14,17-bis(3-methylbut-2-en-1-yl)hexacyclo[10.6.1.1¹,¹⁴.0³,¹².0⁵,¹⁰.0¹⁶,¹⁹]Icosa-5,7,9-triene-11,13,20-trione belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. 19-hydroxy-4,4,16-trimethyl-14,17-bis(3-methylbut-2-en-1-yl)hexacyclo[10.6.1.1¹,¹⁴.0³,¹².0⁵,¹⁰.0¹⁶,¹⁹]icosa-5,7,9-triene-11,13,20-trione is found in Garcinia bracteata. 19-Hydroxy-4,4,16-trimethyl-14,17-bis(3-methylbut-2-en-1-yl)hexacyclo[10.6.1.1¹,¹⁴.0³,¹².0⁵,¹⁰.0¹⁶,¹⁹]Icosa-5,7,9-triene-11,13,20-trione is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL SDF PDB SMILES InChI


  Mrv1533004171521532D          

 37 42  0  0  0  0            999 V2000
    0.9544   -2.5719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1349   -2.4767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1924   -1.7194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3411   -1.0017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2538   -0.6182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4053    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1241    0.4805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6782    1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3041    0.5791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0714    0.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8510    1.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7189    1.4648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6622    0.2925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4550    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0491   -0.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8504   -0.8524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0576   -1.0806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4635   -0.5082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6608   -0.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0942   -1.5956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9756   -0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9386   -0.5817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7754   -1.6388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9880   -0.1757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1546    0.3453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7111    0.5738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2923   -0.0118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0900    0.1988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0758   -0.8078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0649   -1.0712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9034   -1.1110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5875   -1.0156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4551   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6922   -1.3702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    0.6395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2598    1.5198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3573   -3.1388    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  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
  9 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 24 30  1  0  0  0  0
 30 31  1  0  0  0  0
  5 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
  7 33  1  0  0  0  0
 21 33  1  0  0  0  0
 33 34  1  0  0  0  0
 24 35  1  0  0  0  0
  7 35  1  0  0  0  0
 35 36  2  0  0  0  0
  2 37  1  0  0  0  0
M  END


  Mrv1533004171521532D          

 37 42  0  0  0  0            999 V2000
    0.9544   -2.5719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1349   -2.4767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1924   -1.7194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3411   -1.0017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2538   -0.6182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4053    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1241    0.4805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6782    1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3041    0.5791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0714    0.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8510    1.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7189    1.4648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6622    0.2925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4550    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0491   -0.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8504   -0.8524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0576   -1.0806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4635   -0.5082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6608   -0.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0942   -1.5956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9756   -0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9386   -0.5817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7754   -1.6388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9880   -0.1757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1546    0.3453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7111    0.5738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2923   -0.0118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0900    0.1988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0758   -0.8078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0649   -1.0712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9034   -1.1110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5875   -1.0156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4551   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6922   -1.3702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    0.6395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2598    1.5198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3573   -3.1388    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  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
  9 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 24 30  1  0  0  0  0
 30 31  1  0  0  0  0
  5 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
  7 33  1  0  0  0  0
 21 33  1  0  0  0  0
 33 34  1  0  0  0  0
 24 35  1  0  0  0  0
  7 35  1  0  0  0  0
 35 36  2  0  0  0  0
  2 37  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0226928

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)=CCC1CC23CC4C5(C(=O)C6=CC=CC=C6C4(C)C)C(=O)C(CC=C(C)C)(CC1(C)C25O)C3=O

> <INCHI_IDENTIFIER>
InChI=1S/C33H40O4/c1-19(2)12-13-21-16-31-17-24-28(5,6)23-11-9-8-10-22(23)25(34)32(24)27(36)30(26(31)35,15-14-20(3)4)18-29(21,7)33(31,32)37/h8-12,14,21,24,37H,13,15-18H2,1-7H3

> <INCHI_KEY>
OYNMUDDKDVFETN-UHFFFAOYSA-N

> <FORMULA>
C33H40O4

> <MOLECULAR_WEIGHT>
500.679

> <EXACT_MASS>
500.292659768

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
77

> <JCHEM_AVERAGE_POLARIZABILITY>
57.10132134448753

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
19-hydroxy-4,4,16-trimethyl-14,17-bis(3-methylbut-2-en-1-yl)hexacyclo[10.6.1.1¹,¹⁴.0³,¹².0⁵,¹⁰.0¹⁶,¹⁹]icosa-5,7,9-triene-11,13,20-trione

> <ALOGPS_LOGP>
5.25

> <JCHEM_LOGP>
6.895789502666667

> <ALOGPS_LOGS>
-5.67

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.186202554537452

> <JCHEM_PKA_STRONGEST_BASIC>
-3.5921550026453177

> <JCHEM_POLAR_SURFACE_AREA>
71.44

> <JCHEM_REFRACTIVITY>
146.2493

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.07e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
19-hydroxy-4,4,16-trimethyl-14,17-bis(3-methylbut-2-en-1-yl)hexacyclo[10.6.1.1¹,¹⁴.0³,¹².0⁵,¹⁰.0¹⁶,¹⁹]icosa-5,7,9-triene-11,13,20-trione

> <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       1.782  -4.801   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.252  -4.623   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -0.359  -3.209   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.637  -1.870   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.340  -1.154   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.623   0.319   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       3.965   0.897   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.999   1.998   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       6.168   1.081   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       7.600   1.601   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       7.188   3.171   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       8.809   2.734   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       8.703   0.546   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      10.183   0.972   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      11.292  -0.096   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      10.921  -1.591   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       9.441  -2.017   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       8.332  -0.949   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       6.834  -1.416   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       7.642  -2.979   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       5.554  -0.444   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       3.619  -1.086   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       3.314  -3.059   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       1.844  -0.328   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       0.289   0.644   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -1.327   1.071   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -2.412  -0.022   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -3.901   0.371   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -2.008  -1.508   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       1.988  -2.000   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       3.553  -2.074   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       4.830  -1.896   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       4.583  -0.825   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       5.025  -2.558   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       2.485   1.194   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       2.352   2.837   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0      -0.667  -5.859   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   37                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6   31                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8   33   35                                             
CONECT    8    7    9                                                       
CONECT    9    8   10   21                                                  
CONECT   10    9   11   12   13                                             
CONECT   11   10                                                            
CONECT   12   10                                                            
CONECT   13   10   14   18                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   13   19                                                  
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19    9   22   33                                             
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25   30   35                                             
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27                                                            
CONECT   30   24   31                                                       
CONECT   31   30    5   32   33                                             
CONECT   32   31                                                            
CONECT   33   31    7   21   34                                             
CONECT   34   33                                                            
CONECT   35   24    7   36                                                  
CONECT   36   35                                                            
CONECT   37    2                                                            
MASTER        0    0    0    0    0    0    0    0   37    0   84    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₃H₄₀O₄

Average Mass

500.6790 Da

Monoisotopic Mass

500.29266 Da

IUPAC Name

19-hydroxy-4,4,16-trimethyl-14,17-bis(3-methylbut-2-en-1-yl)hexacyclo[10.6.1.1¹,¹⁴.0³,¹².0⁵,¹⁰.0¹⁶,¹⁹]icosa-5,7,9-triene-11,13,20-trione

Traditional Name

19-hydroxy-4,4,16-trimethyl-14,17-bis(3-methylbut-2-en-1-yl)hexacyclo[10.6.1.1¹,¹⁴.0³,¹².0⁵,¹⁰.0¹⁶,¹⁹]icosa-5,7,9-triene-11,13,20-trione

CAS Registry Number

Not Available

SMILES

CC(C)=CCC1CC23CC4C5(C(=O)C6=CC=CC=C6C4(C)C)C(=O)C(CC=C(C)C)(CC1(C)C25O)C3=O

InChI Identifier

InChI=1S/C33H40O4/c1-19(2)12-13-21-16-31-17-24-28(5,6)23-11-9-8-10-22(23)25(34)32(24)27(36)30(26(31)35,15-14-20(3)4)18-29(21,7)33(31,32)37/h8-12,14,21,24,37H,13,15-18H2,1-7H3

InChI Key

OYNMUDDKDVFETN-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Garcinia bracteata	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Sesquiterpenoids

Direct Parent

Sesquiterpenoids

Alternative Parents

Substituents

Sesquiterpenoid
Tetralin
Aryl alkyl ketone
Aryl ketone
Benzenoid
Tertiary alcohol
Cyclic alcohol
Ketone
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Alcohol
Aromatic homopolycyclic compound

Molecular Framework

Aromatic 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	5.25	ALOGPS
logP	6.9	ChemAxon
logS	-5.7	ALOGPS
pKa (Strongest Acidic)	13.19	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	71.44 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	146.25 m³·mol⁻¹	ChemAxon
Polarizability	57.1 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	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

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

72822322

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 19-hydroxy-4,4,16-trimethyl-14,17-bis(3-methylbut-2-en-1-yl)hexacyclo[10.6.1.1¹,¹⁴.0³,¹².0⁵,¹⁰.0¹⁶,¹⁹]icosa-5,7,9-triene-11,13,20-trione (NP0226928)

MOL for NP0226928 (19-hydroxy-4,4,16-trimethyl-14,17-bis(3-methylbut-2-en-1-yl)hexacyclo[10.6.1.1¹,¹⁴.0³,¹².0⁵,¹⁰.0¹⁶,¹⁹]icosa-5,7,9-triene-11,13,20-trione)

3D MOL for NP0226928 (19-hydroxy-4,4,16-trimethyl-14,17-bis(3-methylbut-2-en-1-yl)hexacyclo[10.6.1.1¹,¹⁴.0³,¹².0⁵,¹⁰.0¹⁶,¹⁹]icosa-5,7,9-triene-11,13,20-trione)

3D SDF for NP0226928 (19-hydroxy-4,4,16-trimethyl-14,17-bis(3-methylbut-2-en-1-yl)hexacyclo[10.6.1.1¹,¹⁴.0³,¹².0⁵,¹⁰.0¹⁶,¹⁹]icosa-5,7,9-triene-11,13,20-trione)

3D-SDF for NP0226928 (19-hydroxy-4,4,16-trimethyl-14,17-bis(3-methylbut-2-en-1-yl)hexacyclo[10.6.1.1¹,¹⁴.0³,¹².0⁵,¹⁰.0¹⁶,¹⁹]icosa-5,7,9-triene-11,13,20-trione)

PDB for NP0226928 (19-hydroxy-4,4,16-trimethyl-14,17-bis(3-methylbut-2-en-1-yl)hexacyclo[10.6.1.1¹,¹⁴.0³,¹².0⁵,¹⁰.0¹⁶,¹⁹]icosa-5,7,9-triene-11,13,20-trione)

3D PDB for NP0226928 (19-hydroxy-4,4,16-trimethyl-14,17-bis(3-methylbut-2-en-1-yl)hexacyclo[10.6.1.1¹,¹⁴.0³,¹².0⁵,¹⁰.0¹⁶,¹⁹]icosa-5,7,9-triene-11,13,20-trione)

SMILES for NP0226928 (19-hydroxy-4,4,16-trimethyl-14,17-bis(3-methylbut-2-en-1-yl)hexacyclo[10.6.1.1¹,¹⁴.0³,¹².0⁵,¹⁰.0¹⁶,¹⁹]icosa-5,7,9-triene-11,13,20-trione)

INCHI for NP0226928 (19-hydroxy-4,4,16-trimethyl-14,17-bis(3-methylbut-2-en-1-yl)hexacyclo[10.6.1.1¹,¹⁴.0³,¹².0⁵,¹⁰.0¹⁶,¹⁹]icosa-5,7,9-triene-11,13,20-trione)

Structure for NP0226928 (19-hydroxy-4,4,16-trimethyl-14,17-bis(3-methylbut-2-en-1-yl)hexacyclo[10.6.1.1¹,¹⁴.0³,¹².0⁵,¹⁰.0¹⁶,¹⁹]icosa-5,7,9-triene-11,13,20-trione)

3D Structure for NP0226928 (19-hydroxy-4,4,16-trimethyl-14,17-bis(3-methylbut-2-en-1-yl)hexacyclo[10.6.1.1¹,¹⁴.0³,¹².0⁵,¹⁰.0¹⁶,¹⁹]icosa-5,7,9-triene-11,13,20-trione)