NP-MRD: Showing NP-Card for 22-{[1,7-dihydroxy-8-(4-hydroxyphenyl)-2-methyloct-4-en-1-ylidene]amino}-13-hydroxy-3-methoxy-2,4,9,19-tetramethyl-15-oxotricosa-4,6,8,10,16,18,20-heptaenoic acid (NP0294675)

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Record Information

Version

1.0

Created at

2022-09-10 03:20:01 UTC

Updated at

2022-09-10 03:20:01 UTC

NP-MRD ID

NP0294675

Secondary Accession Numbers

None

Natural Product Identification

Common Name

22-{[1,7-dihydroxy-8-(4-hydroxyphenyl)-2-methyloct-4-en-1-ylidene]amino}-13-hydroxy-3-methoxy-2,4,9,19-tetramethyl-15-oxotricosa-4,6,8,10,16,18,20-heptaenoic acid

Description

22-{[1,7-Dihydroxy-8-(4-hydroxyphenyl)-2-methyloct-4-en-1-ylidene]amino}-13-hydroxy-3-methoxy-2,4,9,19-tetramethyl-15-oxotricosa-4,6,8,10,16,18,20-heptaenoic acid belongs to the class of organic compounds known as very long-chain fatty acids. These are fatty acids with an aliphatic tail that contains at least 22 carbon atoms. Based on a literature review very few articles have been published on 22-{[1,7-dihydroxy-8-(4-hydroxyphenyl)-2-methyloct-4-en-1-ylidene]amino}-13-hydroxy-3-methoxy-2,4,9,19-tetramethyl-15-oxotricosa-4,6,8,10,16,18,20-heptaenoic acid.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309102205202D          

 52 52  0  0  0  0            999 V2000
   17.1473   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8618   -7.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8618   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1473   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4328   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1473   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4328   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4328   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7184   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7184   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4328   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0039   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0039   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2894   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2894    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0039    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2894    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171    5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171    6.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315    6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460    6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171    7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460    7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460    8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605    9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605    9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749   10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2894    9.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749   11.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2894   11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2894   12.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0039   12.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7184   12.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4328   12.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7184   11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0039   11.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5762   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5762   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2907   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0052   -5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2907   -7.0125    0.0000 O   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
  4  6  2  0  0  0  0
  6  7  1  4  0  0  0
  7  8  2  0  0  0  0
  8  9  1  4  0  0  0
  9 10  2  0  0  0  0
 10 11  1  4  0  0  0
 12 10  1  4  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 18  1  4  0  0  0
 20 21  2  0  0  0  0
 22 21  1  4  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 25 23  1  4  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 29 27  1  4  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 35 34  1  4  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 43  1  0  0  0  0
 43 44  2  0  0  0  0
 44 45  1  0  0  0  0
 44 46  1  0  0  0  0
 46 47  2  0  0  0  0
 41 47  1  0  0  0  0
  3 48  1  0  0  0  0
 48 49  1  0  0  0  0
 48 50  1  0  0  0  0
 50 51  2  0  0  0  0
 50 52  1  0  0  0  0
M  END

     RDKit          3D

111111  0  0  0  0  0  0  0  0999 V2000
  -14.4282    0.5803   -0.4061 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8772   -0.5018    0.2727 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7941   -0.9775   -0.3597 C   0  0  1  0  0  0  0  0  0  0  0  0
  -11.5176   -0.6293    0.3657 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1471   -1.2702    1.6482 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7368    0.3084   -0.1305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5233    0.6075    0.5627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6529    1.4754    0.2293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6992    2.3723   -0.8958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5363    3.0986   -1.1024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5208    4.0608   -2.1905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4008    2.5841   -0.4508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1306    2.8197   -0.2400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4722    1.6984    0.6557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4640    1.0955   -0.2850 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.3152    0.8523   -1.4802 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1866   -0.3615    0.1138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7302   -0.6435    1.4594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6630   -1.0846    2.2957 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4643   -0.5333    1.9963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4215    0.1219    0.9606 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6932    0.0488    1.8244 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8749    0.5629    1.3013 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9871    0.4444    2.2328 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8141    1.2159    0.0391 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000    1.7374   -0.6920 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1689    1.7506   -0.3114 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9252    2.5869   -1.3740 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5398    0.4222   -0.3627 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3872   -0.3611   -0.0380 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2153   -1.7321   -0.4032 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6233   -0.0415    0.7203 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5894   -0.8409    1.9967 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8174   -0.3440   -0.1131 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9730   -1.7403   -0.5688 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9892   -2.5407   -0.1948 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0089   -2.0315    0.7234 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4134   -1.9403    0.0998 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.3369   -1.1277   -1.0542 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1486   -1.0924    1.1279 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5153   -0.7535    0.8227 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6505   -1.3858    1.2430 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8954   -0.9068    0.8363 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0526    0.1840    0.0219 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3228    0.6210   -0.3522 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9053    0.8286   -0.4103 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6687    0.3672   -0.0163 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8053   -2.4464   -0.6194 C   0  0  2  0  0  0  0  0  0  0  0  0
  -11.4677   -2.8520   -1.2939 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8436   -2.8535   -1.5818 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6524   -2.1259   -2.1804 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9148   -4.2270   -1.8642 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6475    1.4044   -0.4034 H   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6060    0.4077   -1.4753 H   0  0  0  0  0  0  0  0  0  0  0  0
  -15.3003    0.9919    0.1471 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6508   -0.4552   -1.3792 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9061   -2.0424    1.9409 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1711   -1.7782    1.6061 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1646   -0.4936    2.4710 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9881    0.8492   -1.0448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3254    0.0172    1.4864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8119    1.6029    0.9552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4879    2.5337   -1.5639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6200    4.6893   -2.2224 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.3973    4.7424   -2.2132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5929    1.5178    0.0232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4837    3.5729   -0.5304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0100    2.3188    1.4435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2565    1.0261    0.9753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6956    1.7169   -0.5656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7840    1.1958   -2.2401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5341   -0.7719   -0.7020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1776   -0.9007   -0.0566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9976   -0.7387    2.8458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2068    0.1733    0.3525 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7924   -0.3460    2.8092 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5851    0.3658    3.3201 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4716   -0.5642    2.0307 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6628    1.2732    2.2593 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7553    1.2935   -0.3890 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4414    2.2203   -1.6317 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2606    2.3301    0.6062 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2085    3.2976   -1.8472 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6542    3.2085   -0.8233 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4280    1.9395   -2.1061 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8564   -2.3884    0.3042 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2446   -2.1871   -1.2622 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0066   -3.5438   -0.5952 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1184   -2.8602    1.5413 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7406   -1.1682    1.3192 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7750   -2.9180   -0.0793 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7008   -0.3663   -0.9530 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0734   -1.6698    2.1015 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5458   -0.1843    1.2794 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5274   -2.2405    1.8850 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7858   -1.4241    1.1876 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.7552    1.3214    0.2653 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0518    1.6876   -1.0607 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8034    0.9063   -0.3859 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8627   -3.0699    0.2883 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6662   -2.5541   -0.5834 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3851   -2.3783   -2.2906 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5274   -3.9431   -1.4206 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1409   -4.6776   -2.3366 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3 48  1  0
 48 49  1  0
 48 50  1  0
 50 52  1  0
 50 51  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 23 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  2  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 38 40  1  0
 40 41  1  0
 41 42  2  0
 42 43  1  0
 43 44  2  0
 44 45  1  0
 44 46  1  0
 46 47  2  0
 47 41  1  0
  1 53  1  0
  1 54  1  0
  1 55  1  0
  3 56  1  6
 48107  1  1
 49108  1  0
 49109  1  0
 49110  1  0
 52111  1  0
  5 57  1  0
  5 58  1  0
  5 59  1  0
  6 60  1  0
  7 61  1  0
  8 62  1  0
  9 63  1  0
 11 64  1  0
 11 65  1  0
 11 66  1  0
 12 67  1  0
 13 68  1  0
 14 69  1  0
 14 70  1  0
 15 71  1  6
 16 72  1  0
 17 73  1  0
 17 74  1  0
 20 75  1  0
 21 76  1  0
 22 77  1  0
 24 78  1  0
 24 79  1  0
 24 80  1  0
 25 81  1  0
 26 82  1  0
 27 83  1  1
 28 84  1  0
 28 85  1  0
 28 86  1  0
 31 87  1  0
 32 88  1  1
 33 89  1  0
 33 90  1  0
 33 91  1  0
 34 92  1  0
 34 93  1  0
 35 94  1  0
 36 95  1  0
 37 96  1  0
 37 97  1  0
 38 98  1  6
 39 99  1  0
 40100  1  0
 40101  1  0
 42102  1  0
 43103  1  0
 45104  1  0
 46105  1  0
 47106  1  0
M  END


  Mrv1652309102205202D          

 52 52  0  0  0  0            999 V2000
   17.1473   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8618   -7.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8618   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1473   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4328   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1473   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4328   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4328   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7184   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7184   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4328   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0039   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0039   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2894   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2894    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0039    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2894    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171    5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171    6.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315    6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460    6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171    7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460    7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460    8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605    9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605    9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749   10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2894    9.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749   11.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2894   11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2894   12.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0039   12.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7184   12.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4328   12.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7184   11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0039   11.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5762   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5762   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2907   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0052   -5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2907   -7.0125    0.0000 O   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
  4  6  2  0  0  0  0
  6  7  1  4  0  0  0
  7  8  2  0  0  0  0
  8  9  1  4  0  0  0
  9 10  2  0  0  0  0
 10 11  1  4  0  0  0
 12 10  1  4  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 18  1  4  0  0  0
 20 21  2  0  0  0  0
 22 21  1  4  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 25 23  1  4  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 29 27  1  4  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 35 34  1  4  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 43  1  0  0  0  0
 43 44  2  0  0  0  0
 44 45  1  0  0  0  0
 44 46  1  0  0  0  0
 46 47  2  0  0  0  0
 41 47  1  0  0  0  0
  3 48  1  0  0  0  0
 48 49  1  0  0  0  0
 48 50  1  0  0  0  0
 50 51  2  0  0  0  0
 50 52  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0294675

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC(C(C)C(O)=O)C(C)=CC=CC=C(C)C=CCC(O)CC(=O)C=CC=C(C)C=CC(C)N=C(O)C(C)CC=CCC(O)CC1=CC=C(O)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C43H59NO8/c1-30(14-8-9-17-32(3)41(52-7)35(6)43(50)51)15-12-20-39(47)29-40(48)21-13-16-31(2)22-23-34(5)44-42(49)33(4)18-10-11-19-38(46)28-36-24-26-37(45)27-25-36/h8-17,21-27,33-35,38-39,41,45-47H,18-20,28-29H2,1-7H3,(H,44,49)(H,50,51)

> <INCHI_KEY>
OLQJTQUNKZJRHG-UHFFFAOYSA-N

> <FORMULA>
C43H59NO8

> <MOLECULAR_WEIGHT>
717.944

> <EXACT_MASS>
717.424067864

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
111

> <JCHEM_AVERAGE_POLARIZABILITY>
82.62654778275675

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
22-{[1,7-dihydroxy-8-(4-hydroxyphenyl)-2-methyloct-4-en-1-ylidene]amino}-13-hydroxy-3-methoxy-2,4,9,19-tetramethyl-15-oxotricosa-4,6,8,10,16,18,20-heptaenoic acid

> <JCHEM_LOGP>
7.35691652359093

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
6.1057391436126975

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.612104551717381

> <JCHEM_PKA_STRONGEST_BASIC>
3.8160103196011566

> <JCHEM_POLAR_SURFACE_AREA>
156.88

> <JCHEM_REFRACTIVITY>
217.65850000000006

> <JCHEM_ROTATABLE_BOND_COUNT>
23

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
22-{[1,7-dihydroxy-8-(4-hydroxyphenyl)-2-methyloct-4-en-1-ylidene]amino}-13-hydroxy-3-methoxy-2,4,9,19-tetramethyl-15-oxotricosa-4,6,8,10,16,18,20-heptaenoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 10-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   10-SEP-22         0                                  
HETATM    1  C   UNK     0      32.008 -13.860   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      33.342 -13.090   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      33.342 -11.550   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      32.008 -10.780   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      30.675 -11.550   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      32.008  -9.240   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      30.675  -8.470   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      30.675  -6.930   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      29.341  -6.160   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      29.341  -4.620   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      30.675  -3.850   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      28.007  -3.850   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      28.007  -2.310   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      26.674  -1.540   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      26.674   0.000   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      28.007   0.770   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      25.340   0.770   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      25.340   2.310   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      26.674   3.080   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      24.006   3.080   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      24.006   4.620   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      22.673   5.390   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      22.673   6.930   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      24.006   7.700   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      21.339   7.700   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      21.339   9.240   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      20.005  10.010   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      18.672   9.240   0.000  0.00  0.00           C+0
HETATM   29  N   UNK     0      20.005  11.550   0.000  0.00  0.00           N+0
HETATM   30  C   UNK     0      21.339  12.320   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      22.673  11.550   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      21.339  13.860   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      20.005  14.630   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      22.673  14.630   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      22.673  16.170   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      24.006  16.940   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      24.006  18.480   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      25.340  19.250   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      26.674  18.480   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0      25.340  20.790   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      26.674  21.560   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      26.674  23.100   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      28.007  23.870   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      29.341  23.100   0.000  0.00  0.00           C+0
HETATM   45  O   UNK     0      30.675  23.870   0.000  0.00  0.00           O+0
HETATM   46  C   UNK     0      29.341  21.560   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      28.007  20.790   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0      34.676 -10.780   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0      34.676  -9.240   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0      36.009 -11.550   0.000  0.00  0.00           C+0
HETATM   51  O   UNK     0      37.343 -10.780   0.000  0.00  0.00           O+0
HETATM   52  O   UNK     0      36.009 -13.090   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   48                                                  
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30                                                       
CONECT   30   29   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38   41                                                       
CONECT   41   40   42   47                                                  
CONECT   42   41   43                                                       
CONECT   43   42   44                                                       
CONECT   44   43   45   46                                                  
CONECT   45   44                                                            
CONECT   46   44   47                                                       
CONECT   47   46   41                                                       
CONECT   48    3   49   50                                                  
CONECT   49   48                                                            
CONECT   50   48   51   52                                                  
CONECT   51   50                                                            
CONECT   52   50                                                            
MASTER        0    0    0    0    0    0    0    0   52    0  104    0
END

View in JSmol

Synonyms

Value	Source
22-{[1,7-dihydroxy-8-(4-hydroxyphenyl)-2-methyloct-4-en-1-ylidene]amino}-13-hydroxy-3-methoxy-2,4,9,19-tetramethyl-15-oxotricosa-4,6,8,10,16,18,20-heptaenoate	Generator

Chemical Formula

C₄₃H₅₉NO₈

Average Mass

717.9440 Da

Monoisotopic Mass

717.42407 Da

IUPAC Name

22-{[1,7-dihydroxy-8-(4-hydroxyphenyl)-2-methyloct-4-en-1-ylidene]amino}-13-hydroxy-3-methoxy-2,4,9,19-tetramethyl-15-oxotricosa-4,6,8,10,16,18,20-heptaenoic acid

Traditional Name

22-{[1,7-dihydroxy-8-(4-hydroxyphenyl)-2-methyloct-4-en-1-ylidene]amino}-13-hydroxy-3-methoxy-2,4,9,19-tetramethyl-15-oxotricosa-4,6,8,10,16,18,20-heptaenoic acid

CAS Registry Number

Not Available

SMILES

COC(C(C)C(O)=O)C(C)=CC=CC=C(C)C=CCC(O)CC(=O)C=CC=C(C)C=CC(C)N=C(O)C(C)CC=CCC(O)CC1=CC=C(O)C=C1

InChI Identifier

InChI=1S/C43H59NO8/c1-30(14-8-9-17-32(3)41(52-7)35(6)43(50)51)15-12-20-39(47)29-40(48)21-13-16-31(2)22-23-34(5)44-42(49)33(4)18-10-11-19-38(46)28-36-24-26-37(45)27-25-36/h8-17,21-27,33-35,38-39,41,45-47H,18-20,28-29H2,1-7H3,(H,44,49)(H,50,51)

InChI Key

OLQJTQUNKZJRHG-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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as very long-chain fatty acids. These are fatty acids with an aliphatic tail that contains at least 22 carbon atoms.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty acids and conjugates

Direct Parent

Very long-chain fatty acids

Alternative Parents

Substituents

Very long-chain fatty acid
Hydroxyeicosapolyenoic acid
Eicosanoid
Amino fatty acid
1-hydroxy-2-unsubstituted benzenoid
Branched fatty acid
Hydroxy fatty acid
B'-hydroxy-alpha,beta-unsaturated-ketone
Phenol
Methyl-branched fatty acid
Monocyclic benzene moiety
Beta-hydroxy ketone
Fatty amide
N-acyl-amine
Unsaturated fatty acid
Benzenoid
Acryloyl-group
Alpha,beta-unsaturated ketone
Enone
Secondary carboxylic acid amide
Secondary alcohol
Ketone
Carboxamide group
Monocarboxylic acid or derivatives
Ether
Carboxylic acid derivative
Dialkyl ether
Carboxylic acid
Alcohol
Organopnictogen compound
Organic nitrogen compound
Carbonyl group
Organic oxygen compound
Hydrocarbon derivative
Organic oxide
Organonitrogen compound
Organooxygen compound
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic 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	7.36	ChemAxon
pKa (Strongest Acidic)	4.61	ChemAxon
pKa (Strongest Basic)	3.82	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	156.88 Å²	ChemAxon
Rotatable Bond Count	23	ChemAxon
Refractivity	217.66 m³·mol⁻¹	ChemAxon
Polarizability	82.63 Å³	ChemAxon
Number of Rings	1	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

162886941

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 22-{[1,7-dihydroxy-8-(4-hydroxyphenyl)-2-methyloct-4-en-1-ylidene]amino}-13-hydroxy-3-methoxy-2,4,9,19-tetramethyl-15-oxotricosa-4,6,8,10,16,18,20-heptaenoic acid (NP0294675)

MOL for NP0294675 (22-{[1,7-dihydroxy-8-(4-hydroxyphenyl)-2-methyloct-4-en-1-ylidene]amino}-13-hydroxy-3-methoxy-2,4,9,19-tetramethyl-15-oxotricosa-4,6,8,10,16,18,20-heptaenoic acid)

3D MOL for NP0294675 (22-{[1,7-dihydroxy-8-(4-hydroxyphenyl)-2-methyloct-4-en-1-ylidene]amino}-13-hydroxy-3-methoxy-2,4,9,19-tetramethyl-15-oxotricosa-4,6,8,10,16,18,20-heptaenoic acid)

3D SDF for NP0294675 (22-{[1,7-dihydroxy-8-(4-hydroxyphenyl)-2-methyloct-4-en-1-ylidene]amino}-13-hydroxy-3-methoxy-2,4,9,19-tetramethyl-15-oxotricosa-4,6,8,10,16,18,20-heptaenoic acid)

3D-SDF for NP0294675 (22-{[1,7-dihydroxy-8-(4-hydroxyphenyl)-2-methyloct-4-en-1-ylidene]amino}-13-hydroxy-3-methoxy-2,4,9,19-tetramethyl-15-oxotricosa-4,6,8,10,16,18,20-heptaenoic acid)

PDB for NP0294675 (22-{[1,7-dihydroxy-8-(4-hydroxyphenyl)-2-methyloct-4-en-1-ylidene]amino}-13-hydroxy-3-methoxy-2,4,9,19-tetramethyl-15-oxotricosa-4,6,8,10,16,18,20-heptaenoic acid)

3D PDB for NP0294675 (22-{[1,7-dihydroxy-8-(4-hydroxyphenyl)-2-methyloct-4-en-1-ylidene]amino}-13-hydroxy-3-methoxy-2,4,9,19-tetramethyl-15-oxotricosa-4,6,8,10,16,18,20-heptaenoic acid)

SMILES for NP0294675 (22-{[1,7-dihydroxy-8-(4-hydroxyphenyl)-2-methyloct-4-en-1-ylidene]amino}-13-hydroxy-3-methoxy-2,4,9,19-tetramethyl-15-oxotricosa-4,6,8,10,16,18,20-heptaenoic acid)

INCHI for NP0294675 (22-{[1,7-dihydroxy-8-(4-hydroxyphenyl)-2-methyloct-4-en-1-ylidene]amino}-13-hydroxy-3-methoxy-2,4,9,19-tetramethyl-15-oxotricosa-4,6,8,10,16,18,20-heptaenoic acid)

Structure for NP0294675 (22-{[1,7-dihydroxy-8-(4-hydroxyphenyl)-2-methyloct-4-en-1-ylidene]amino}-13-hydroxy-3-methoxy-2,4,9,19-tetramethyl-15-oxotricosa-4,6,8,10,16,18,20-heptaenoic acid)

3D Structure for NP0294675 (22-{[1,7-dihydroxy-8-(4-hydroxyphenyl)-2-methyloct-4-en-1-ylidene]amino}-13-hydroxy-3-methoxy-2,4,9,19-tetramethyl-15-oxotricosa-4,6,8,10,16,18,20-heptaenoic acid)