NP-MRD: Showing NP-Card for (6e,8e,10z,12e,14e,16e,18e,20e,22e,24e,26e)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene (NP0221460)

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Record Information

Version

2.0

Created at

2022-09-05 23:02:41 UTC

Updated at

2022-09-05 23:02:42 UTC

NP-MRD ID

NP0221460

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(6e,8e,10z,12e,14e,16e,18e,20e,22e,24e,26e)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene

Description

9-Cis-Lycopene belongs to the class of organic compounds known as carotenes. These are a type of unsaturated hydrocarbons containing eight consecutive isoprene units. They are characterized by the presence of two end-groups (mostly cyclohexene rings, but also cyclopentene rings or acyclic groups) linked by a long branched alkyl chain. Carotenes belonging form a subgroup of the carotenoids family. (6e,8e,10z,12e,14e,16e,18e,20e,22e,24e,26e)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene is found in Psidium guajava. 9-Cis-Lycopene is possibly neutral.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652306111918512D          

 40 39  0  0  0  0            999 V2000
10002.8210 9999.1697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.1054 9998.7576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.3897 9999.1697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.6762 9998.7576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.9606 9999.1697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.2450 9998.7576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.5312 9999.1697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.8162 9998.7576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.0994 9999.1697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.3846 9998.7576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9995.6697 9999.1697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9994.9550 9998.7576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9994.2400 9999.1697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9993.5251 9998.7576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9992.8104 9999.1697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9992.0956 9998.7576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9991.3807 9999.1697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9990.6658 9998.7576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9989.9510 9999.1697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9989.2363 9998.7576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9988.5215 9999.1697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9987.8064 9998.7576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9988.5215 9999.9946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9991.3807 9999.9946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9994.2400 9999.9946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.0994 9999.9946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.6762 9997.9321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.5349 9998.7564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.5339 9997.9315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10004.2497 9999.1680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10004.2478 9997.5181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10004.2468 9996.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10004.9608 9996.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10004.9598 9995.4550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10005.6757 9996.6916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10005.6737 9995.0418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10006.3886 9995.4534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10007.1025 9995.0401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10007.1015 9994.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10007.8174 9995.4518    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  2  0  0  0  0
  4 27  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  2  0  0  0  0
  9 10  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 25  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 24  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
  1 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
M  END


  Mrv1652306111918512D          

 40 39  0  0  0  0            999 V2000
10002.8210 9999.1697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.1054 9998.7576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.3897 9999.1697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.6762 9998.7576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.9606 9999.1697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.2450 9998.7576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.5312 9999.1697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.8162 9998.7576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.0994 9999.1697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.3846 9998.7576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9995.6697 9999.1697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9994.9550 9998.7576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9994.2400 9999.1697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9993.5251 9998.7576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9992.8104 9999.1697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9992.0956 9998.7576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9991.3807 9999.1697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9990.6658 9998.7576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9989.9510 9999.1697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9989.2363 9998.7576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9988.5215 9999.1697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9987.8064 9998.7576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9988.5215 9999.9946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9991.3807 9999.9946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9994.2400 9999.9946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.0994 9999.9946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.6762 9997.9321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.5349 9998.7564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.5339 9997.9315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10004.2497 9999.1680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10004.2478 9997.5181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10004.2468 9996.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10004.9608 9996.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10004.9598 9995.4550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10005.6757 9996.6916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10005.6737 9995.0418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10006.3886 9995.4534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10007.1025 9995.0401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10007.1015 9994.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10007.8174 9995.4518    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  2  0  0  0  0
  4 27  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  2  0  0  0  0
  9 10  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 25  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 24  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
  1 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0221460

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)=CCC\C(C)=C\C=C\C(\C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)CCC=C(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C40H56/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-22,25-32H,13-14,23-24H2,1-10H3/b12-11+,25-15+,26-16+,31-17+,32-18+,35-21+,36-22+,37-27+,38-28+,39-29-,40-30+

> <INCHI_KEY>
OAIJSZIZWZSQBC-CBEQXLMWSA-N

> <FORMULA>
C40H56

> <MOLECULAR_WEIGHT>
536.888

> <EXACT_MASS>
536.438201803

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
96

> <JCHEM_AVERAGE_POLARIZABILITY>
72.29434271154918

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(6E,8E,10Z,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene

> <ALOGPS_LOGP>
9.16

> <JCHEM_LOGP>
11.931831819333333

> <ALOGPS_LOGS>
-6.13

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
197.80600000000007

> <JCHEM_ROTATABLE_BOND_COUNT>
16

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.97e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(6E,8E,10Z,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 11-JUN-19   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-JUN-19         0                                  
HETATM    1  C   UNK     0    8671.9338665.117   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0    8670.5978664.348   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0    8669.2618665.117   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0    8667.9298664.348   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0    8666.5938665.117   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0    8665.2578664.348   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0    8663.9258665.117   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0    8662.5908664.348   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0    8661.2528665.117   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0    8659.9188664.348   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0    8658.5838665.117   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0    8657.2498664.348   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0    8655.9158665.117   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0    8654.5808664.348   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0    8653.2468665.117   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0    8651.9128664.348   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0    8650.5778665.117   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0    8649.2438664.348   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0    8647.9098665.117   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0    8646.5748664.348   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0    8645.2408665.117   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0    8643.9058664.348   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0    8645.2408666.657   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0    8650.5778666.657   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0    8655.9158666.657   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0    8661.2528666.657   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0    8667.9298662.807   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0    8673.2658664.345   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0    8673.2638662.805   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0    8674.6008665.114   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0    8674.5968662.034   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0    8674.5948660.494   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0    8675.9278659.723   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0    8675.9258658.183   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0    8677.2618660.491   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0    8677.2588657.411   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0    8678.5928658.180   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0    8679.9258657.408   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0    8679.9238655.868   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0    8681.2598658.177   0.000  0.00  0.00           C+0
CONECT    1    2   28                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5   27                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   26                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   25                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   24                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21                                                            
CONECT   24   17                                                            
CONECT   25   13                                                            
CONECT   26    9                                                            
CONECT   27    4                                                            
CONECT   28    1   29   30                                                  
CONECT   29   28   31                                                       
CONECT   30   28                                                            
CONECT   31   29   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34   35                                                  
CONECT   34   33   36                                                       
CONECT   35   33                                                            
CONECT   36   34   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38                                                            
MASTER        0    0    0    0    0    0    0    0   40    0   78    0
END

View in JSmol

Synonyms

Value	Source
(9Z)-Lycopene	HMDB
9-cis-Lycopene	HMDB
9-cis-psi,psi-Carotene	HMDB
9-cis-ψ,ψ-Carotene	HMDB

Chemical Formula

C₄₀H₅₆

Average Mass

536.8880 Da

Monoisotopic Mass

536.43820 Da

IUPAC Name

(6E,8E,10Z,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene

Traditional Name

(6E,8E,10Z,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene

CAS Registry Number

Not Available

SMILES

CC(C)=CCC\C(C)=C\C=C\C(\C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)CCC=C(C)C

InChI Identifier

InChI=1S/C40H56/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-22,25-32H,13-14,23-24H2,1-10H3/b12-11+,25-15+,26-16+,31-17+,32-18+,35-21+,36-22+,37-27+,38-28+,39-29-,40-30+

InChI Key

OAIJSZIZWZSQBC-CBEQXLMWSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Psidium guajava	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as carotenes. These are a type of unsaturated hydrocarbons containing eight consecutive isoprene units. They are characterized by the presence of two end-groups (mostly cyclohexene rings, but also cyclopentene rings or acyclic groups) linked by a long branched alkyl chain. Carotenes belonging form a subgroup of the carotenoids family.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Tetraterpenoids

Direct Parent

Carotenes

Alternative Parents

Substituents

Carotene
Branched unsaturated hydrocarbon
Unsaturated aliphatic hydrocarbon
Unsaturated hydrocarbon
Olefin
Acyclic olefin
Hydrocarbon
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic 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	9.16	ALOGPS
logP	11.93	ChemAxon
logS	-6.1	ALOGPS
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	0	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	0 Å²	ChemAxon
Rotatable Bond Count	16	ChemAxon
Refractivity	197.81 m³·mol⁻¹	ChemAxon
Polarizability	72.29 Å³	ChemAxon
Number of Rings	0	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

HMDB0240366

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

6440364

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (6e,8e,10z,12e,14e,16e,18e,20e,22e,24e,26e)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene (NP0221460)

MOL for NP0221460 ((6e,8e,10z,12e,14e,16e,18e,20e,22e,24e,26e)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene)

3D MOL for NP0221460 ((6e,8e,10z,12e,14e,16e,18e,20e,22e,24e,26e)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene)

3D SDF for NP0221460 ((6e,8e,10z,12e,14e,16e,18e,20e,22e,24e,26e)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene)

3D-SDF for NP0221460 ((6e,8e,10z,12e,14e,16e,18e,20e,22e,24e,26e)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene)

PDB for NP0221460 ((6e,8e,10z,12e,14e,16e,18e,20e,22e,24e,26e)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene)

3D PDB for NP0221460 ((6e,8e,10z,12e,14e,16e,18e,20e,22e,24e,26e)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene)

SMILES for NP0221460 ((6e,8e,10z,12e,14e,16e,18e,20e,22e,24e,26e)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene)

INCHI for NP0221460 ((6e,8e,10z,12e,14e,16e,18e,20e,22e,24e,26e)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene)

Structure for NP0221460 ((6e,8e,10z,12e,14e,16e,18e,20e,22e,24e,26e)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene)

3D Structure for NP0221460 ((6e,8e,10z,12e,14e,16e,18e,20e,22e,24e,26e)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene)