Natural Product: NPC108497

Natural Product ID:  NPC108497
Common Name:   Comosusol A
IUPAC Name:   2-[(Z)-3-hydroxy-3-methylbut-1-enyl]-6-(3-methylbut-2-enyl)benzene-1,4-diol
Synonyms:   Comosusol A
Molecular Formula:   C16H22O3
Standard InCHIKey:  NJQQRKVXFYIZIH-FPLPWBNLSA-N
Standard InCHI:  InChI=1S/C16H22O3/c1-11(2)5-6-12-9-14(17)10-13(15(12)18)7-8-16(3,4)19/h5,7-10,17-19H,6H2,1-4H3/b8-7-
Canonical SMILES:  CC(=CCc1cc(O)cc(c1O)/C=CC(O)(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
NPO17827 Scutellaria przewalskii Species Lamiaceae Eukaryota UNPD*
NPO16286 Sporochnus comosus Species Sporochnaceae Eukaryota PMID[21348445]
NPO14726 Alnus subcordata Species Betulaceae Eukaryota UNPD*
NPO13576 Cordylanthus tenuis Species Orobanchaceae Eukaryota UNPD*
NPO16286 Sporochnus comosus Species Sporochnaceae Eukaryota UNPD*
NPO17183 Chaetomium coarctatum Species Chaetomiaceae Eukaryota UNPD*
NPO13944 Parkia speciosa Species Fabaceae Eukaryota UNPD*
NPO1266 Trigonella polycerata Species Fabaceae Eukaryota UNPD*
NPO17845 Rhynchotechum vestitum Species Gesneriaceae Eukaryota UNPD*
NPO17714 Blepharispermum zanguebaricum Species Asteraceae Eukaryota UNPD*
NPO17950 Siphonoglossa ramosa NA NA NA UNPD*
NPO5730 Lactuca canadensis Species Asteraceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT395 Cell Line SF-268 Homo sapiens GI50 = 55000 nM 21348445
NPT83 Cell Line MCF7 Homo sapiens GI50 = 52000 nM 21348445
NPT397 Cell Line NCI-H460 Homo sapiens GI50 = 55000 nM 21348445
NPT139 Cell Line HT-29 Homo sapiens GI50 = 53000 nM 21348445
NPT913 Cell Line CHO-K1 Cricetulus griseus GI50 = 57000 nM 21348445

  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 NPC108497 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
0.9583 High Similarity NPC248396
0.9583 High Similarity NPC129373
0.9583 High Similarity NPC48730
0.9579 High Similarity NPC152097
0.9579 High Similarity NPC475078
0.9495 High Similarity NPC469913
0.9479 High Similarity NPC260775
0.9388 High Similarity NPC269212
0.9381 High Similarity NPC70677
0.9381 High Similarity NPC130756
0.9381 High Similarity NPC12931
0.93 High Similarity NPC53740
0.9286 High Similarity NPC80800
0.9286 High Similarity NPC477685
0.92 High Similarity NPC47284
0.9158 High Similarity NPC29373
0.9118 High Similarity NPC279887
0.9118 High Similarity NPC68260
0.9109 High Similarity NPC155072
0.91 High Similarity NPC272029
0.9038 High Similarity NPC469912
0.9029 High Similarity NPC26013
0.9029 High Similarity NPC282855
0.902 High Similarity NPC320439
0.899 High Similarity NPC72729
0.8958 High Similarity NPC147284
0.8958 High Similarity NPC3358
0.8958 High Similarity NPC162314
0.8958 High Similarity NPC210497
0.8958 High Similarity NPC94139
0.8958 High Similarity NPC306884
0.8952 High Similarity NPC302371
0.8947 High Similarity NPC192
0.8942 High Similarity NPC208229
0.8922 High Similarity NPC54765
0.8911 High Similarity NPC475580
0.89 High Similarity NPC12221
0.8857 High Similarity NPC470770
0.8857 High Similarity NPC77772
0.8857 High Similarity NPC54373
0.8857 High Similarity NPC266937
0.8846 High Similarity NPC473524
0.8835 High Similarity NPC474352
0.8824 High Similarity NPC138942
0.8812 High Similarity NPC471228
0.8812 High Similarity NPC235762
0.88 High Similarity NPC130103
0.88 High Similarity NPC225506
0.88 High Similarity NPC174911
0.8788 High Similarity NPC474073
0.8788 High Similarity NPC79241
0.8788 High Similarity NPC6597
0.8788 High Similarity NPC77492
0.8776 High Similarity NPC222146
0.8774 High Similarity NPC62867
0.8774 High Similarity NPC177962
0.875 High Similarity NPC95344
0.8737 High Similarity NPC27974
0.8737 High Similarity NPC19680
0.8725 High Similarity NPC475225
0.8725 High Similarity NPC288411
0.8713 High Similarity NPC252105
0.8704 High Similarity NPC473718
0.87 High Similarity NPC252821
0.87 High Similarity NPC33675
0.87 High Similarity NPC299762
0.87 High Similarity NPC128723
0.87 High Similarity NPC122005
0.8692 High Similarity NPC296144
0.8692 High Similarity NPC28784
0.8687 High Similarity NPC259512
0.8687 High Similarity NPC312132
0.8673 High Similarity NPC245187
0.8673 High Similarity NPC289769
0.8673 High Similarity NPC152415
0.8673 High Similarity NPC76938
0.8667 High Similarity NPC98392
0.866 High Similarity NPC231150
0.866 High Similarity NPC204210
0.8654 High Similarity NPC233320
0.8654 High Similarity NPC66834
0.8641 High Similarity NPC117115
0.8632 High Similarity NPC407
0.8632 High Similarity NPC307235
0.8627 High Similarity NPC233827
0.8627 High Similarity NPC168829
0.8624 High Similarity NPC141001
0.8624 High Similarity NPC69539
0.8611 High Similarity NPC471534
0.8611 High Similarity NPC473931
0.8611 High Similarity NPC474050
0.8611 High Similarity NPC474114
0.8611 High Similarity NPC114918
0.86 High Similarity NPC88420
0.8598 High Similarity NPC98372
0.8586 High Similarity NPC8392
0.8586 High Similarity NPC32714
0.8585 High Similarity NPC132720
0.8585 High Similarity NPC471535
0.8571 High Similarity NPC55903
0.8558 High Similarity NPC310456
0.8545 High Similarity NPC187993
0.8545 High Similarity NPC238176
0.8544 High Similarity NPC130817
0.8526 High Similarity NPC155393
0.8505 High Similarity NPC228609
0.8505 High Similarity NPC225679
0.8505 High Similarity NPC476632
0.8505 High Similarity NPC95716
0.8505 High Similarity NPC275627
0.8505 High Similarity NPC165770
0.8505 High Similarity NPC4493
0.8476 Intermediate Similarity NPC151477
0.8476 Intermediate Similarity NPC204901
0.8476 Intermediate Similarity NPC232523
0.8476 Intermediate Similarity NPC158253
0.8469 Intermediate Similarity NPC306074
0.8462 Intermediate Similarity NPC37802
0.8454 Intermediate Similarity NPC280347
0.8454 Intermediate Similarity NPC318325
0.8454 Intermediate Similarity NPC123273
0.8454 Intermediate Similarity NPC70436
0.8454 Intermediate Similarity NPC242240
0.8454 Intermediate Similarity NPC177420
0.8447 Intermediate Similarity NPC302219
0.8447 Intermediate Similarity NPC222522
0.8447 Intermediate Similarity NPC85479
0.8447 Intermediate Similarity NPC146798
0.8447 Intermediate Similarity NPC249828
0.8447 Intermediate Similarity NPC94351
0.8447 Intermediate Similarity NPC24404
0.8447 Intermediate Similarity NPC106396
0.8447 Intermediate Similarity NPC168303
0.8447 Intermediate Similarity NPC71002
0.8447 Intermediate Similarity NPC53051
0.8447 Intermediate Similarity NPC313030
0.8447 Intermediate Similarity NPC242342
0.8431 Intermediate Similarity NPC166761
0.8431 Intermediate Similarity NPC211885
0.8431 Intermediate Similarity NPC294741
0.8431 Intermediate Similarity NPC10588
0.8426 Intermediate Similarity NPC474920
0.8426 Intermediate Similarity NPC228452
0.8426 Intermediate Similarity NPC43525
0.8426 Intermediate Similarity NPC46940
0.8421 Intermediate Similarity NPC286904
0.8421 Intermediate Similarity NPC150837
0.8411 Intermediate Similarity NPC296683
0.8411 Intermediate Similarity NPC13482
0.84 Intermediate Similarity NPC26244
0.84 Intermediate Similarity NPC144682
0.84 Intermediate Similarity NPC274678
0.8396 Intermediate Similarity NPC306295
0.8396 Intermediate Similarity NPC262365
0.8393 Intermediate Similarity NPC476020
0.8393 Intermediate Similarity NPC32152
0.8381 Intermediate Similarity NPC12640
0.8381 Intermediate Similarity NPC201662
0.8381 Intermediate Similarity NPC271274
0.8381 Intermediate Similarity NPC67250
0.8381 Intermediate Similarity NPC21594
0.8381 Intermediate Similarity NPC99836
0.8378 Intermediate Similarity NPC320864
0.8367 Intermediate Similarity NPC312304
0.8367 Intermediate Similarity NPC55561
0.8365 Intermediate Similarity NPC227458
0.8365 Intermediate Similarity NPC238696
0.8365 Intermediate Similarity NPC323810
0.8365 Intermediate Similarity NPC218879
0.8365 Intermediate Similarity NPC244513
0.8365 Intermediate Similarity NPC93831
0.8364 Intermediate Similarity NPC474486
0.8351 Intermediate Similarity NPC113460
0.8351 Intermediate Similarity NPC25493
0.835 Intermediate Similarity NPC24407
0.835 Intermediate Similarity NPC294186
0.835 Intermediate Similarity NPC192032
0.835 Intermediate Similarity NPC284011
0.835 Intermediate Similarity NPC51015
0.835 Intermediate Similarity NPC11280
0.835 Intermediate Similarity NPC72947
0.835 Intermediate Similarity NPC147310
0.835 Intermediate Similarity NPC166313
0.835 Intermediate Similarity NPC137415
0.8349 Intermediate Similarity NPC117846
0.8319 Intermediate Similarity NPC232295
0.8319 Intermediate Similarity NPC474131
0.8318 Intermediate Similarity NPC19808
0.8318 Intermediate Similarity NPC33728
0.8318 Intermediate Similarity NPC58865
0.8317 Intermediate Similarity NPC473388
0.8304 Intermediate Similarity NPC206205
0.83 Intermediate Similarity NPC128062
0.83 Intermediate Similarity NPC27323
0.83 Intermediate Similarity NPC151715
0.83 Intermediate Similarity NPC316301
0.8286 Intermediate Similarity NPC303141
0.8286 Intermediate Similarity NPC243677
0.8283 Intermediate Similarity NPC270547
0.8283 Intermediate Similarity NPC304541

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC108497 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
0.9184 High Similarity NPD289 Clinical (unspecified phase)
0.8969 High Similarity NPD844 Approved
0.8774 High Similarity NPD7635 Approved
0.8763 High Similarity NPD845 Approved
0.8687 High Similarity NPD288 Approved
0.8532 High Similarity NPD6671 Approved
0.84 Intermediate Similarity NPD2859 Approved
0.84 Intermediate Similarity NPD2860 Approved
0.84 Intermediate Similarity NPD1809 Phase 2
0.8333 Intermediate Similarity NPD3020 Approved
0.83 Intermediate Similarity NPD1432 Clinical (unspecified phase)
0.83 Intermediate Similarity NPD2934 Approved
0.83 Intermediate Similarity NPD2933 Approved
0.8173 Intermediate Similarity NPD846 Approved
0.8173 Intermediate Similarity NPD940 Approved
0.8148 Intermediate Similarity NPD4750 Phase 3
0.8131 Intermediate Similarity NPD2342 Discontinued
0.7982 Intermediate Similarity NPD3021 Approved
0.7982 Intermediate Similarity NPD3022 Approved
0.7938 Intermediate Similarity NPD111 Approved
0.787 Intermediate Similarity NPD1445 Approved
0.787 Intermediate Similarity NPD1444 Approved
0.7815 Intermediate Similarity NPD6696 Suspended
0.7788 Intermediate Similarity NPD497 Approved
0.7757 Intermediate Similarity NPD9500 Approved
0.7699 Intermediate Similarity NPD495 Approved
0.7699 Intermediate Similarity NPD498 Approved
0.7699 Intermediate Similarity NPD496 Approved
0.7699 Intermediate Similarity NPD1398 Phase 1
0.7679 Intermediate Similarity NPD6124 Clinical (unspecified phase)
0.7658 Intermediate Similarity NPD1792 Phase 2
0.7652 Intermediate Similarity NPD7340 Approved
0.7583 Intermediate Similarity NPD3600 Clinical (unspecified phase)
0.7579 Intermediate Similarity NPD9088 Approved
0.757 Intermediate Similarity NPD1242 Phase 1
0.7544 Intermediate Similarity NPD7159 Clinical (unspecified phase)
0.7544 Intermediate Similarity NPD2228 Approved
0.7544 Intermediate Similarity NPD2229 Approved
0.7544 Intermediate Similarity NPD2234 Approved
0.7542 Intermediate Similarity NPD4626 Approved
0.7542 Intermediate Similarity NPD4059 Approved
0.7521 Intermediate Similarity NPD3091 Approved
0.7479 Intermediate Similarity NPD3496 Discontinued
0.7395 Intermediate Similarity NPD2932 Approved
0.7395 Intermediate Similarity NPD4589 Approved
0.7395 Intermediate Similarity NPD3019 Approved
0.7387 Intermediate Similarity NPD968 Approved
0.7383 Intermediate Similarity NPD9273 Approved
0.7373 Intermediate Similarity NPD5303 Approved
0.7373 Intermediate Similarity NPD5304 Approved
0.7373 Intermediate Similarity NPD2226 Clinical (unspecified phase)
0.7368 Intermediate Similarity NPD228 Approved
0.736 Intermediate Similarity NPD4625 Phase 3
0.7355 Intermediate Similarity NPD2230 Approved
0.7355 Intermediate Similarity NPD2232 Approved
0.7355 Intermediate Similarity NPD2233 Approved
0.735 Intermediate Similarity NPD7325 Clinical (unspecified phase)
0.7339 Intermediate Similarity NPD2861 Phase 2
0.7328 Intermediate Similarity NPD9618 Approved
0.7328 Intermediate Similarity NPD1791 Approved
0.7328 Intermediate Similarity NPD9614 Approved
0.7328 Intermediate Similarity NPD1793 Approved
0.7311 Intermediate Similarity NPD4093 Discontinued
0.7295 Intermediate Similarity NPD4749 Approved
0.7273 Intermediate Similarity NPD3092 Approved
0.725 Intermediate Similarity NPD2286 Discontinued
0.7248 Intermediate Similarity NPD3028 Approved
0.7227 Intermediate Similarity NPD7330 Discontinued
0.7207 Intermediate Similarity NPD9608 Approved
0.7207 Intermediate Similarity NPD9610 Approved
0.7177 Intermediate Similarity NPD3094 Phase 2
0.7176 Intermediate Similarity NPD2935 Discontinued
0.7167 Intermediate Similarity NPD4196 Clinical (unspecified phase)
0.7167 Intermediate Similarity NPD5691 Approved
0.7167 Intermediate Similarity NPD4235 Clinical (unspecified phase)
0.7158 Intermediate Similarity NPD9087 Approved
0.7155 Intermediate Similarity NPD9379 Approved
0.7155 Intermediate Similarity NPD9377 Approved
0.7143 Intermediate Similarity NPD9615 Approved
0.7143 Intermediate Similarity NPD9616 Approved
0.7143 Intermediate Similarity NPD9613 Approved
0.7131 Intermediate Similarity NPD5351 Clinical (unspecified phase)
0.7131 Intermediate Similarity NPD5350 Clinical (unspecified phase)
0.7131 Intermediate Similarity NPD1611 Approved
0.7131 Intermediate Similarity NPD1201 Approved
0.7115 Intermediate Similarity NPD9295 Approved
0.7107 Intermediate Similarity NPD1751 Approved
0.7107 Intermediate Similarity NPD3095 Discontinued
0.7105 Intermediate Similarity NPD2684 Approved
0.7083 Intermediate Similarity NPD316 Approved
0.7059 Intermediate Similarity NPD405 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD7636 Approved
0.7054 Intermediate Similarity NPD4060 Phase 1
0.7049 Intermediate Similarity NPD3143 Discontinued
0.704 Intermediate Similarity NPD4339 Clinical (unspecified phase)
0.7034 Intermediate Similarity NPD1476 Clinical (unspecified phase)
0.7031 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7018 Intermediate Similarity NPD290 Approved
0.7009 Intermediate Similarity NPD1138 Approved
0.7008 Intermediate Similarity NPD600 Approved
0.7008 Intermediate Similarity NPD596 Approved
0.6984 Remote Similarity NPD6917 Clinical (unspecified phase)
0.6983 Remote Similarity NPD9280 Clinical (unspecified phase)
0.6975 Remote Similarity NPD709 Approved
0.6964 Remote Similarity NPD5700 Clinical (unspecified phase)
0.6949 Remote Similarity NPD5283 Phase 1
0.6939 Remote Similarity NPD9294 Approved
0.6935 Remote Similarity NPD3070 Discontinued
0.6929 Remote Similarity NPD5736 Approved
0.6923 Remote Similarity NPD1137 Approved
0.6923 Remote Similarity NPD1139 Approved
0.6911 Remote Similarity NPD1981 Approved
0.6911 Remote Similarity NPD1980 Approved
0.6911 Remote Similarity NPD2688 Clinical (unspecified phase)
0.6911 Remote Similarity NPD1983 Approved
0.6905 Remote Similarity NPD1133 Approved
0.6905 Remote Similarity NPD1131 Approved
0.6905 Remote Similarity NPD1129 Approved
0.6905 Remote Similarity NPD1135 Approved
0.6905 Remote Similarity NPD1134 Approved
0.6905 Remote Similarity NPD1470 Approved
0.6899 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6897 Remote Similarity NPD9380 Clinical (unspecified phase)
0.688 Remote Similarity NPD1755 Approved
0.6864 Remote Similarity NPD7843 Approved
0.686 Remote Similarity NPD7644 Approved
0.685 Remote Similarity NPD4624 Approved
0.685 Remote Similarity NPD3690 Phase 2
0.685 Remote Similarity NPD6584 Phase 3
0.685 Remote Similarity NPD2194 Approved
0.685 Remote Similarity NPD2195 Approved
0.685 Remote Similarity NPD3691 Phase 2
0.6846 Remote Similarity NPD839 Approved
0.6846 Remote Similarity NPD840 Approved
0.6833 Remote Similarity NPD255 Approved
0.6833 Remote Similarity NPD6387 Discontinued
0.6833 Remote Similarity NPD7157 Approved
0.6833 Remote Similarity NPD256 Approved
0.6829 Remote Similarity NPD2667 Approved
0.6829 Remote Similarity NPD9381 Approved
0.6829 Remote Similarity NPD9384 Approved
0.6829 Remote Similarity NPD5238 Clinical (unspecified phase)
0.6829 Remote Similarity NPD1778 Approved
0.6829 Remote Similarity NPD2668 Approved
0.6822 Remote Similarity NPD3027 Phase 3
0.6818 Remote Similarity NPD4097 Suspended
0.681 Remote Similarity NPD74 Approved
0.681 Remote Similarity NPD9266 Approved
0.6803 Remote Similarity NPD1759 Phase 1
0.68 Remote Similarity NPD2231 Phase 2
0.68 Remote Similarity NPD2235 Phase 2
0.6797 Remote Similarity NPD3637 Approved
0.6797 Remote Similarity NPD3635 Approved
0.6797 Remote Similarity NPD3636 Approved
0.6794 Remote Similarity NPD2238 Phase 2
0.6777 Remote Similarity NPD9493 Approved
0.6774 Remote Similarity NPD3026 Approved
0.6774 Remote Similarity NPD3023 Approved
0.6772 Remote Similarity NPD3055 Approved
0.6772 Remote Similarity NPD1164 Approved
0.6772 Remote Similarity NPD3053 Approved
0.6765 Remote Similarity NPD9089 Approved
0.6759 Remote Similarity NPD159 Clinical (unspecified phase)
0.6752 Remote Similarity NPD5451 Approved
0.675 Remote Similarity NPD475 Phase 2
0.6748 Remote Similarity NPD1651 Approved
0.6748 Remote Similarity NPD3024 Approved
0.6748 Remote Similarity NPD3025 Approved
0.6746 Remote Similarity NPD9622 Approved
0.6746 Remote Similarity NPD1669 Approved
0.6744 Remote Similarity NPD2606 Approved
0.6744 Remote Similarity NPD4908 Phase 1
0.6744 Remote Similarity NPD2605 Approved
0.6744 Remote Similarity NPD1529 Clinical (unspecified phase)
0.6726 Remote Similarity NPD4817 Approved
0.6726 Remote Similarity NPD4818 Approved
0.6724 Remote Similarity NPD9267 Approved
0.6724 Remote Similarity NPD9264 Approved
0.6724 Remote Similarity NPD9263 Approved
0.6723 Remote Similarity NPD821 Approved
0.6721 Remote Similarity NPD856 Approved
0.6721 Remote Similarity NPD16 Approved
0.6721 Remote Similarity NPD1758 Phase 1
0.672 Remote Similarity NPD1610 Phase 2
0.6718 Remote Similarity NPD6407 Approved
0.6718 Remote Similarity NPD6663 Approved
0.6718 Remote Similarity NPD6405 Approved
0.6716 Remote Similarity NPD3299 Clinical (unspecified phase)
0.6693 Remote Similarity NPD5310 Approved
0.6693 Remote Similarity NPD5311 Approved
0.6693 Remote Similarity NPD1283 Approved
0.6692 Remote Similarity NPD5155 Approved
0.6692 Remote Similarity NPD2157 Approved
0.6692 Remote Similarity NPD5156 Approved
0.6667 Remote Similarity NPD1548 Phase 1
0.6667 Remote Similarity NPD4869 Clinical (unspecified phase)
0.6667 Remote Similarity NPD1530 Clinical (unspecified phase)
0.6667 Remote Similarity NPD4208 Discontinued
0.6667 Remote Similarity NPD2237 Approved
0.6667 Remote Similarity NPD9093 Approved

Structure

External Identifiers

PubChem CID   52952526
ChEMBL   CHEMBL1773905
ZINC  

Physicochemical Properties

Molecular Weight:  262.16
ALogP:  1.5584
MLogP:  2.89
XLogP:  2.722
# Rotatable Bonds:  11
Polar Surface Area:  60.69
# H-Bond Aceptor:  1
# H-Bond Donor:  3
# Rings:  1
# Heavy Atoms:  19

Download Data

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Biological Activities  
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