Natural Product: NPC130756

Natural Product ID:  NPC130756
Common Name:   2-Heptaprenylhydroquinone
IUPAC Name:   2-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl]benzene-1,4-diol
Synonyms:   2-Heptaprenyl-Hydroquinone; 2-Heptaprenylhydroquinone
Molecular Formula:   C41H62O2
Standard InCHIKey:  AXRXQPWGBYSWOE-PYHSYOTJSA-N
Standard InCHI:  InChI=1S/C41H62O2/c1-32(2)15-9-16-33(3)17-10-18-34(4)19-11-20-35(5)21-12-22-36(6)23-13-24-37(7)25-14-26-38(8)27-28-39-31-40(42)29-30-41(39)43/h15,17,19,21,23,25,27,29-31,42-43H,9-14,16,18,20,22,24,26,28H2,1-8H3/b33-17+,34-19+,35-21+,36-23+,37-25+,38-27+
Canonical SMILES:  C/C(=CCC/C(=C/CC/C(=C/CC/C(=C/Cc1cc(O)ccc1O)/C)/C)/C)/CC/C=C(/CC/C=C(/CCC=C(C)C)C)C
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO3178 Dalbergia latifolia Species Fabaceae Eukaryota UNPD*
NPO4561 Cantharellus cibarius Species Cantharellaceae Eukaryota UNPD*
NPO812 Populus heterophylla Species Salicaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT176 Organism Artemia salina Artemia salina LC50 = 0.91 ppm 7714539
NPT1221 Organism Gambusia affinis Gambusia affinis LC50 > 100 ppm 7714539
NPT1221 Organism Gambusia affinis Gambusia affinis LC50 > 100 ppm 10.1021/np50123a018
NPT176 Organism Artemia salina Artemia salina LC50 = 0.91 ppm 10.1021/np50123a018

  Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

●  The left chart: Distribution of similarity level between NPC130756 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
1.0 High Similarity NPC70677
1.0 High Similarity NPC12931
0.9892 High Similarity NPC260775
0.9787 High Similarity NPC129373
0.9787 High Similarity NPC248396
0.9787 High Similarity NPC48730
0.9785 High Similarity NPC152097
0.9574 High Similarity NPC475078
0.9479 High Similarity NPC80800
0.9479 High Similarity NPC477685
0.9381 High Similarity NPC108497
0.9355 High Similarity NPC29373
0.9293 High Similarity NPC155072
0.9192 High Similarity NPC47284
0.9149 High Similarity NPC306884
0.9149 High Similarity NPC162314
0.9149 High Similarity NPC3358
0.9149 High Similarity NPC94139
0.9149 High Similarity NPC210497
0.9149 High Similarity NPC147284
0.91 High Similarity NPC469913
0.91 High Similarity NPC53740
0.901 High Similarity NPC474352
0.901 High Similarity NPC320439
0.899 High Similarity NPC269212
0.898 High Similarity NPC130103
0.8936 High Similarity NPC192
0.8925 High Similarity NPC27974
0.89 High Similarity NPC475580
0.8889 High Similarity NPC12221
0.8889 High Similarity NPC252105
0.8854 High Similarity NPC245187
0.8842 High Similarity NPC231150
0.8835 High Similarity NPC98392
0.8835 High Similarity NPC26013
0.8835 High Similarity NPC282855
0.8824 High Similarity NPC233320
0.8817 High Similarity NPC307235
0.8817 High Similarity NPC407
0.88 High Similarity NPC233827
0.88 High Similarity NPC235762
0.88 High Similarity NPC471228
0.8788 High Similarity NPC72729
0.8788 High Similarity NPC174911
0.8776 High Similarity NPC79241
0.8776 High Similarity NPC88420
0.8776 High Similarity NPC6597
0.8776 High Similarity NPC474073
0.8763 High Similarity NPC32714
0.8762 High Similarity NPC177962
0.8762 High Similarity NPC62867
0.875 High Similarity NPC208229
0.8738 High Similarity NPC279887
0.8738 High Similarity NPC68260
0.8737 High Similarity NPC55561
0.8713 High Similarity NPC130817
0.8713 High Similarity NPC272029
0.8713 High Similarity NPC475225
0.871 High Similarity NPC155393
0.8687 High Similarity NPC33675
0.8687 High Similarity NPC299762
0.8673 High Similarity NPC312132
0.8673 High Similarity NPC259512
0.8667 High Similarity NPC228609
0.8667 High Similarity NPC469912
0.8667 High Similarity NPC77772
0.8667 High Similarity NPC54373
0.8667 High Similarity NPC266937
0.8667 High Similarity NPC470770
0.866 High Similarity NPC76938
0.866 High Similarity NPC152415
0.8654 High Similarity NPC473524
0.8641 High Similarity NPC232523
0.8641 High Similarity NPC158253
0.8641 High Similarity NPC204901
0.8632 High Similarity NPC177420
0.8632 High Similarity NPC280347
0.8614 High Similarity NPC196479
0.8614 High Similarity NPC146798
0.8614 High Similarity NPC249828
0.8614 High Similarity NPC53051
0.8614 High Similarity NPC168303
0.8614 High Similarity NPC71002
0.8614 High Similarity NPC242342
0.8614 High Similarity NPC85479
0.8614 High Similarity NPC24404
0.8614 High Similarity NPC313030
0.8614 High Similarity NPC106396
0.8614 High Similarity NPC94351
0.8614 High Similarity NPC302219
0.8614 High Similarity NPC222522
0.8602 High Similarity NPC286904
0.8602 High Similarity NPC150837
0.86 High Similarity NPC166761
0.8585 High Similarity NPC302371
0.8571 High Similarity NPC471535
0.8557 High Similarity NPC55903
0.8544 High Similarity NPC99836
0.8544 High Similarity NPC54765
0.8544 High Similarity NPC67250
0.8544 High Similarity NPC12640
0.8544 High Similarity NPC201662
0.8542 High Similarity NPC312304
0.8529 High Similarity NPC93831
0.8526 High Similarity NPC113460
0.8526 High Similarity NPC25493
0.8515 High Similarity NPC24407
0.8515 High Similarity NPC192032
0.8515 High Similarity NPC72947
0.8515 High Similarity NPC284011
0.8515 High Similarity NPC137415
0.8515 High Similarity NPC294186
0.8515 High Similarity NPC166313
0.8515 High Similarity NPC11280
0.8515 High Similarity NPC147310
0.8505 High Similarity NPC28784
0.8505 High Similarity NPC296144
0.8491 Intermediate Similarity NPC275627
0.8462 Intermediate Similarity NPC66834
0.8454 Intermediate Similarity NPC306074
0.8447 Intermediate Similarity NPC138942
0.8447 Intermediate Similarity NPC37802
0.844 Intermediate Similarity NPC141001
0.8438 Intermediate Similarity NPC318325
0.8438 Intermediate Similarity NPC123273
0.8438 Intermediate Similarity NPC242240
0.8426 Intermediate Similarity NPC197513
0.8426 Intermediate Similarity NPC474050
0.8426 Intermediate Similarity NPC474114
0.8426 Intermediate Similarity NPC473931
0.8426 Intermediate Similarity NPC114918
0.8421 Intermediate Similarity NPC23167
0.8416 Intermediate Similarity NPC225506
0.8416 Intermediate Similarity NPC10588
0.8416 Intermediate Similarity NPC294741
0.8411 Intermediate Similarity NPC474920
0.84 Intermediate Similarity NPC77492
0.84 Intermediate Similarity NPC156313
0.8384 Intermediate Similarity NPC274678
0.8384 Intermediate Similarity NPC26244
0.8384 Intermediate Similarity NPC222146
0.8381 Intermediate Similarity NPC95344
0.8365 Intermediate Similarity NPC310456
0.835 Intermediate Similarity NPC218879
0.835 Intermediate Similarity NPC288411
0.835 Intermediate Similarity NPC244513
0.835 Intermediate Similarity NPC323810
0.835 Intermediate Similarity NPC227458
0.8333 Intermediate Similarity NPC76400
0.8333 Intermediate Similarity NPC19680
0.8317 Intermediate Similarity NPC122005
0.8317 Intermediate Similarity NPC128723
0.8317 Intermediate Similarity NPC252821
0.8316 Intermediate Similarity NPC197783
0.8302 Intermediate Similarity NPC19808
0.8302 Intermediate Similarity NPC33728
0.83 Intermediate Similarity NPC473388
0.8288 Intermediate Similarity NPC206205
0.8286 Intermediate Similarity NPC61033
0.8286 Intermediate Similarity NPC54844
0.8286 Intermediate Similarity NPC305603
0.8283 Intermediate Similarity NPC289769
0.8283 Intermediate Similarity NPC316301
0.8283 Intermediate Similarity NPC151715
0.8283 Intermediate Similarity NPC128062
0.8283 Intermediate Similarity NPC27323
0.8273 Intermediate Similarity NPC69539
0.8269 Intermediate Similarity NPC117115
0.8269 Intermediate Similarity NPC134829
0.8269 Intermediate Similarity NPC471350
0.8265 Intermediate Similarity NPC204210
0.8265 Intermediate Similarity NPC270547
0.8265 Intermediate Similarity NPC304541
0.8257 Intermediate Similarity NPC471534
0.8252 Intermediate Similarity NPC168829
0.8252 Intermediate Similarity NPC168393
0.8247 Intermediate Similarity NPC98772
0.8247 Intermediate Similarity NPC258219
0.8241 Intermediate Similarity NPC166995
0.8241 Intermediate Similarity NPC228452
0.8241 Intermediate Similarity NPC98372
0.8229 Intermediate Similarity NPC184169
0.8224 Intermediate Similarity NPC132720
0.8224 Intermediate Similarity NPC296683
0.8218 Intermediate Similarity NPC109955
0.8214 Intermediate Similarity NPC323074
0.8211 Intermediate Similarity NPC248817
0.8211 Intermediate Similarity NPC175313
0.8208 Intermediate Similarity NPC241549
0.8208 Intermediate Similarity NPC174981
0.8208 Intermediate Similarity NPC306295
0.8208 Intermediate Similarity NPC169450
0.82 Intermediate Similarity NPC8392
0.8198 Intermediate Similarity NPC187993
0.8198 Intermediate Similarity NPC320864
0.8198 Intermediate Similarity NPC269414
0.8198 Intermediate Similarity NPC238176
0.819 Intermediate Similarity NPC109691
0.819 Intermediate Similarity NPC39097
0.819 Intermediate Similarity NPC39664

  Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC130756 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
0.9175 High Similarity NPD289 Clinical (unspecified phase)
0.8958 High Similarity NPD844 Approved
0.8673 High Similarity NPD288 Approved
0.8585 High Similarity NPD7635 Approved
0.8519 High Similarity NPD6671 Approved
0.8469 Intermediate Similarity NPD2933 Approved
0.8469 Intermediate Similarity NPD2934 Approved
0.8384 Intermediate Similarity NPD2860 Approved
0.8384 Intermediate Similarity NPD2859 Approved
0.8367 Intermediate Similarity NPD845 Approved
0.8317 Intermediate Similarity NPD3020 Approved
0.8283 Intermediate Similarity NPD1432 Clinical (unspecified phase)
0.8155 Intermediate Similarity NPD940 Approved
0.8155 Intermediate Similarity NPD846 Approved
0.8131 Intermediate Similarity NPD4750 Phase 3
0.8105 Intermediate Similarity NPD111 Approved
0.802 Intermediate Similarity NPD1809 Phase 2
0.7963 Intermediate Similarity NPD3022 Approved
0.7963 Intermediate Similarity NPD3021 Approved
0.785 Intermediate Similarity NPD1445 Approved
0.785 Intermediate Similarity NPD1444 Approved
0.7778 Intermediate Similarity NPD2342 Discontinued
0.7742 Intermediate Similarity NPD9088 Approved
0.7714 Intermediate Similarity NPD1242 Phase 1
0.7636 Intermediate Similarity NPD1792 Phase 2
0.7607 Intermediate Similarity NPD3496 Discontinued
0.7524 Intermediate Similarity NPD9273 Approved
0.7523 Intermediate Similarity NPD968 Approved
0.75 Intermediate Similarity NPD6124 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD228 Approved
0.75 Intermediate Similarity NPD2226 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD6696 Suspended
0.7456 Intermediate Similarity NPD9614 Approved
0.7456 Intermediate Similarity NPD497 Approved
0.7456 Intermediate Similarity NPD9618 Approved
0.7407 Intermediate Similarity NPD9500 Approved
0.7383 Intermediate Similarity NPD3028 Approved
0.7368 Intermediate Similarity NPD496 Approved
0.7368 Intermediate Similarity NPD495 Approved
0.7368 Intermediate Similarity NPD2234 Approved
0.7368 Intermediate Similarity NPD498 Approved
0.7368 Intermediate Similarity NPD7159 Clinical (unspecified phase)
0.7368 Intermediate Similarity NPD2228 Approved
0.7368 Intermediate Similarity NPD2229 Approved
0.735 Intermediate Similarity NPD3091 Approved
0.7339 Intermediate Similarity NPD9610 Approved
0.7339 Intermediate Similarity NPD9608 Approved
0.7328 Intermediate Similarity NPD7340 Approved
0.7317 Intermediate Similarity NPD2861 Phase 2
0.7312 Intermediate Similarity NPD9087 Approved
0.7304 Intermediate Similarity NPD1793 Approved
0.7304 Intermediate Similarity NPD1791 Approved
0.7281 Intermediate Similarity NPD9379 Approved
0.7281 Intermediate Similarity NPD9377 Approved
0.7273 Intermediate Similarity NPD3600 Clinical (unspecified phase)
0.7265 Intermediate Similarity NPD9613 Approved
0.7265 Intermediate Similarity NPD9616 Approved
0.7265 Intermediate Similarity NPD9615 Approved
0.7255 Intermediate Similarity NPD9295 Approved
0.725 Intermediate Similarity NPD5350 Clinical (unspecified phase)
0.725 Intermediate Similarity NPD5351 Clinical (unspecified phase)
0.7227 Intermediate Similarity NPD4626 Approved
0.7227 Intermediate Similarity NPD3019 Approved
0.7227 Intermediate Similarity NPD2932 Approved
0.7227 Intermediate Similarity NPD4059 Approved
0.7217 Intermediate Similarity NPD1398 Phase 1
0.7203 Intermediate Similarity NPD316 Approved
0.719 Intermediate Similarity NPD2232 Approved
0.719 Intermediate Similarity NPD2230 Approved
0.719 Intermediate Similarity NPD2233 Approved
0.7179 Intermediate Similarity NPD405 Clinical (unspecified phase)
0.7179 Intermediate Similarity NPD7325 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD4093 Discontinued
0.7143 Intermediate Similarity NPD290 Approved
0.7131 Intermediate Similarity NPD4749 Approved
0.713 Intermediate Similarity NPD7843 Approved
0.712 Intermediate Similarity NPD600 Approved
0.712 Intermediate Similarity NPD596 Approved
0.7107 Intermediate Similarity NPD3092 Approved
0.7105 Intermediate Similarity NPD9280 Clinical (unspecified phase)
0.7094 Intermediate Similarity NPD709 Approved
0.7083 Intermediate Similarity NPD4589 Approved
0.7083 Intermediate Similarity NPD9294 Approved
0.708 Intermediate Similarity NPD2684 Approved
0.7059 Intermediate Similarity NPD5304 Approved
0.7059 Intermediate Similarity NPD5303 Approved
0.7059 Intermediate Similarity NPD7330 Discontinued
0.7025 Intermediate Similarity NPD1980 Approved
0.7025 Intermediate Similarity NPD1983 Approved
0.7025 Intermediate Similarity NPD1981 Approved
0.7018 Intermediate Similarity NPD9380 Clinical (unspecified phase)
0.7016 Intermediate Similarity NPD3094 Phase 2
0.7009 Intermediate Similarity NPD1476 Clinical (unspecified phase)
0.6967 Remote Similarity NPD1201 Approved
0.696 Remote Similarity NPD6917 Clinical (unspecified phase)
0.6953 Remote Similarity NPD839 Approved
0.6953 Remote Similarity NPD840 Approved
0.6949 Remote Similarity NPD7157 Approved
0.6942 Remote Similarity NPD1778 Approved
0.6942 Remote Similarity NPD9381 Approved
0.6942 Remote Similarity NPD2286 Discontinued
0.6942 Remote Similarity NPD3095 Discontinued
0.6942 Remote Similarity NPD1751 Approved
0.6942 Remote Similarity NPD9384 Approved
0.6935 Remote Similarity NPD5310 Approved
0.6935 Remote Similarity NPD5311 Approved
0.693 Remote Similarity NPD9266 Approved
0.693 Remote Similarity NPD74 Approved
0.6929 Remote Similarity NPD4625 Phase 3
0.6923 Remote Similarity NPD5283 Phase 1
0.6917 Remote Similarity NPD1759 Phase 1
0.6911 Remote Similarity NPD2235 Phase 2
0.6911 Remote Similarity NPD2231 Phase 2
0.6905 Remote Similarity NPD5736 Approved
0.69 Remote Similarity NPD9089 Approved
0.6894 Remote Similarity NPD2935 Discontinued
0.6891 Remote Similarity NPD9493 Approved
0.6891 Remote Similarity NPD7636 Approved
0.688 Remote Similarity NPD3055 Approved
0.688 Remote Similarity NPD3053 Approved
0.688 Remote Similarity NPD4339 Clinical (unspecified phase)
0.6875 Remote Similarity NPD6410 Clinical (unspecified phase)
0.686 Remote Similarity NPD5691 Approved
0.686 Remote Similarity NPD4235 Clinical (unspecified phase)
0.686 Remote Similarity NPD4196 Clinical (unspecified phase)
0.6855 Remote Similarity NPD9622 Approved
0.6855 Remote Similarity NPD1755 Approved
0.6842 Remote Similarity NPD9267 Approved
0.6842 Remote Similarity NPD9263 Approved
0.6842 Remote Similarity NPD9264 Approved
0.6838 Remote Similarity NPD821 Approved
0.6833 Remote Similarity NPD1758 Phase 1
0.6833 Remote Similarity NPD16 Approved
0.6833 Remote Similarity NPD856 Approved
0.6829 Remote Similarity NPD1611 Approved
0.6825 Remote Similarity NPD6584 Phase 3
0.6807 Remote Similarity NPD256 Approved
0.6807 Remote Similarity NPD255 Approved
0.6803 Remote Similarity NPD5238 Clinical (unspecified phase)
0.68 Remote Similarity NPD9093 Approved
0.6797 Remote Similarity NPD3027 Phase 3
0.6777 Remote Similarity NPD1548 Phase 1
0.6769 Remote Similarity NPD4060 Phase 1
0.6748 Remote Similarity NPD3143 Discontinued
0.6746 Remote Similarity NPD1470 Approved
0.6726 Remote Similarity NPD9244 Approved
0.6724 Remote Similarity NPD5451 Approved
0.6723 Remote Similarity NPD475 Phase 2
0.6721 Remote Similarity NPD1357 Approved
0.672 Remote Similarity NPD4379 Clinical (unspecified phase)
0.6719 Remote Similarity NPD4908 Phase 1
0.6719 Remote Similarity NPD1529 Clinical (unspecified phase)
0.6696 Remote Similarity NPD4817 Approved
0.6696 Remote Similarity NPD9265 Clinical (unspecified phase)
0.6696 Remote Similarity NPD4818 Approved
0.6695 Remote Similarity NPD1138 Approved
0.6694 Remote Similarity NPD317 Approved
0.6694 Remote Similarity NPD1610 Phase 2
0.6694 Remote Similarity NPD422 Phase 1
0.6694 Remote Similarity NPD1535 Discovery
0.6694 Remote Similarity NPD318 Approved
0.6693 Remote Similarity NPD2194 Approved
0.6693 Remote Similarity NPD858 Approved
0.6693 Remote Similarity NPD9620 Approved
0.6693 Remote Similarity NPD9621 Approved
0.6693 Remote Similarity NPD602 Approved
0.6693 Remote Similarity NPD9619 Approved
0.6693 Remote Similarity NPD599 Approved
0.6693 Remote Similarity NPD2195 Approved
0.6693 Remote Similarity NPD859 Approved
0.6692 Remote Similarity NPD6663 Approved
0.6667 Remote Similarity NPD6387 Discontinued
0.6667 Remote Similarity NPD2667 Approved
0.6667 Remote Similarity NPD9634 Clinical (unspecified phase)
0.6667 Remote Similarity NPD2668 Approved
0.6641 Remote Similarity NPD6346 Approved
0.6641 Remote Similarity NPD3637 Approved
0.6641 Remote Similarity NPD3636 Approved
0.6641 Remote Similarity NPD1712 Approved
0.6641 Remote Similarity NPD1530 Clinical (unspecified phase)
0.6641 Remote Similarity NPD3635 Approved
0.6641 Remote Similarity NPD2238 Phase 2
0.6641 Remote Similarity NPD2237 Approved
0.664 Remote Similarity NPD1481 Phase 2
0.664 Remote Similarity NPD2562 Approved
0.664 Remote Similarity NPD2561 Approved
0.664 Remote Similarity NPD3070 Discontinued
0.6637 Remote Similarity NPD5700 Clinical (unspecified phase)
0.6615 Remote Similarity NPD601 Approved
0.6615 Remote Similarity NPD598 Approved
0.6615 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6615 Remote Similarity NPD597 Approved
0.6614 Remote Similarity NPD1131 Approved
0.6614 Remote Similarity NPD1129 Approved
0.6614 Remote Similarity NPD1133 Approved
0.6614 Remote Similarity NPD1134 Approved
0.6614 Remote Similarity NPD1135 Approved
0.6614 Remote Similarity NPD2797 Approved
0.6613 Remote Similarity NPD3026 Approved
0.6613 Remote Similarity NPD3421 Phase 3

Structure

External Identifiers

PubChem CID   14349229
ChEMBL   CHEMBL449195
ZINC  

Physicochemical Properties

Molecular Weight:  586.47
ALogP:  8.35
MLogP:  5.75
XLogP:  13.272
# Rotatable Bonds:  30
Polar Surface Area:  40.46
# H-Bond Aceptor:  0
# H-Bond Donor:  2
# Rings:  1
# Heavy Atoms:  43

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs