Natural Product: NPC474612

Natural Product ID:  NPC474612
Common Name:   1,2,4-Trimethoxy-3-(3,7,11,15-Tetramethylhexadeca-2,6,10,14-Tetraenyl)Benzene
IUPAC Name:   1,2,4-trimethoxy-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]benzene
Synonyms:  
Molecular Formula:   C29H44O3
Standard InCHIKey:  QLISVOXDWPAPCW-WCGUESEVSA-N
Standard InCHI:  InChI=1S/C29H44O3/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)18-19-26-27(30-6)20-21-28(31-7)29(26)32-8/h12,14,16,18,20-21H,9-11,13,15,17,19H2,1-8H3/b23-14+,24-16+,25-18+
Canonical SMILES:  COc1ccc(c(c1C/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)C)C)C)OC)OC
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
NPO27847 Suillus granulatus Species Suillaceae Eukaryota PMID[1294697]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 > 10 ug/ml 14510600
NPT168 Cell Line P388 Mus musculus IC50 > 10 ug/ml 16252913

  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 NPC474612 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
0.9558 High Similarity NPC308217
0.9554 High Similarity NPC304208
0.9554 High Similarity NPC52464
0.9244 High Similarity NPC112596
0.9231 High Similarity NPC474864
0.9231 High Similarity NPC246967
0.9196 High Similarity NPC204120
0.9167 High Similarity NPC474670
0.9145 High Similarity NPC285289
0.9068 High Similarity NPC194626
0.9068 High Similarity NPC264885
0.9068 High Similarity NPC135414
0.9068 High Similarity NPC270326
0.9018 High Similarity NPC203924
0.9008 High Similarity NPC202904
0.9008 High Similarity NPC474821
0.9008 High Similarity NPC189248
0.8943 High Similarity NPC220935
0.8934 High Similarity NPC266691
0.8926 High Similarity NPC474632
0.8917 High Similarity NPC183446
0.8917 High Similarity NPC92869
0.8917 High Similarity NPC283170
0.8917 High Similarity NPC191768
0.8889 High Similarity NPC254625
0.8889 High Similarity NPC475961
0.8862 High Similarity NPC190144
0.8862 High Similarity NPC158477
0.8862 High Similarity NPC58164
0.8862 High Similarity NPC10225
0.8839 High Similarity NPC165386
0.8824 High Similarity NPC75713
0.8824 High Similarity NPC477886
0.8793 High Similarity NPC123948
0.879 High Similarity NPC51840
0.879 High Similarity NPC470624
0.879 High Similarity NPC299221
0.879 High Similarity NPC224157
0.879 High Similarity NPC234488
0.879 High Similarity NPC311680
0.879 High Similarity NPC192687
0.879 High Similarity NPC237169
0.878 High Similarity NPC474636
0.878 High Similarity NPC474616
0.877 High Similarity NPC245060
0.875 High Similarity NPC211231
0.8739 High Similarity NPC472596
0.8729 High Similarity NPC15805
0.872 High Similarity NPC82503
0.872 High Similarity NPC474356
0.872 High Similarity NPC12275
0.872 High Similarity NPC45715
0.8699 High Similarity NPC242032
0.8689 High Similarity NPC234400
0.8689 High Similarity NPC105925
0.8689 High Similarity NPC64391
0.8689 High Similarity NPC60885
0.8678 High Similarity NPC95168
0.8651 High Similarity NPC6451
0.8644 High Similarity NPC63083
0.864 High Similarity NPC474617
0.8629 High Similarity NPC149008
0.8629 High Similarity NPC63179
0.8629 High Similarity NPC19694
0.8629 High Similarity NPC283114
0.8629 High Similarity NPC207702
0.8629 High Similarity NPC31707
0.8618 High Similarity NPC78974
0.8618 High Similarity NPC214406
0.8618 High Similarity NPC223136
0.8618 High Similarity NPC18924
0.8618 High Similarity NPC28730
0.8618 High Similarity NPC103823
0.8618 High Similarity NPC44748
0.8618 High Similarity NPC476006
0.8596 High Similarity NPC2682
0.8595 High Similarity NPC261661
0.8583 High Similarity NPC474810
0.8583 High Similarity NPC269528
0.8571 High Similarity NPC232275
0.8571 High Similarity NPC119949
0.8571 High Similarity NPC20674
0.856 High Similarity NPC150809
0.856 High Similarity NPC153547
0.8548 High Similarity NPC236791
0.8548 High Similarity NPC169474
0.8548 High Similarity NPC74817
0.8548 High Similarity NPC124452
0.8548 High Similarity NPC236760
0.8548 High Similarity NPC324112
0.8548 High Similarity NPC293054
0.8548 High Similarity NPC246620
0.8548 High Similarity NPC282000
0.8548 High Similarity NPC216836
0.8548 High Similarity NPC82679
0.8548 High Similarity NPC159968
0.8537 High Similarity NPC265483
0.8537 High Similarity NPC82483
0.8537 High Similarity NPC299584
0.8525 High Similarity NPC233526
0.8525 High Similarity NPC121115
0.8525 High Similarity NPC282496
0.8516 High Similarity NPC103967
0.8516 High Similarity NPC474600
0.8516 High Similarity NPC474478
0.8504 High Similarity NPC319969
0.8496 Intermediate Similarity NPC35543
0.8492 Intermediate Similarity NPC229231
0.8492 Intermediate Similarity NPC476399
0.8492 Intermediate Similarity NPC214860
0.8468 Intermediate Similarity NPC186845
0.8468 Intermediate Similarity NPC112571
0.8468 Intermediate Similarity NPC9891
0.8468 Intermediate Similarity NPC88297
0.8468 Intermediate Similarity NPC223953
0.8468 Intermediate Similarity NPC285725
0.8468 Intermediate Similarity NPC244364
0.8468 Intermediate Similarity NPC50683
0.8462 Intermediate Similarity NPC474530
0.8462 Intermediate Similarity NPC474521
0.8462 Intermediate Similarity NPC474540
0.845 Intermediate Similarity NPC281521
0.845 Intermediate Similarity NPC201357
0.845 Intermediate Similarity NPC261873
0.845 Intermediate Similarity NPC111655
0.845 Intermediate Similarity NPC283009
0.845 Intermediate Similarity NPC195022
0.845 Intermediate Similarity NPC327382
0.845 Intermediate Similarity NPC255147
0.845 Intermediate Similarity NPC134968
0.845 Intermediate Similarity NPC472337
0.8438 Intermediate Similarity NPC233018
0.8438 Intermediate Similarity NPC241341
0.8438 Intermediate Similarity NPC36437
0.8438 Intermediate Similarity NPC94236
0.8438 Intermediate Similarity NPC37196
0.843 Intermediate Similarity NPC166759
0.843 Intermediate Similarity NPC199023
0.8425 Intermediate Similarity NPC147317
0.8425 Intermediate Similarity NPC474238
0.8425 Intermediate Similarity NPC142530
0.8425 Intermediate Similarity NPC184928
0.8425 Intermediate Similarity NPC141493
0.8421 Intermediate Similarity NPC245115
0.8413 Intermediate Similarity NPC469963
0.8413 Intermediate Similarity NPC474227
0.8413 Intermediate Similarity NPC469951
0.8413 Intermediate Similarity NPC45824
0.8403 Intermediate Similarity NPC33271
0.8403 Intermediate Similarity NPC69261
0.8403 Intermediate Similarity NPC33270
0.8403 Intermediate Similarity NPC259638
0.84 Intermediate Similarity NPC471986
0.8397 Intermediate Similarity NPC19869
0.8393 Intermediate Similarity NPC292792
0.8387 Intermediate Similarity NPC117214
0.8387 Intermediate Similarity NPC233410
0.8387 Intermediate Similarity NPC208950
0.8387 Intermediate Similarity NPC203133
0.8387 Intermediate Similarity NPC221077
0.8387 Intermediate Similarity NPC193544
0.8387 Intermediate Similarity NPC57490
0.8387 Intermediate Similarity NPC17943
0.8387 Intermediate Similarity NPC116907
0.8387 Intermediate Similarity NPC298757
0.8387 Intermediate Similarity NPC472093
0.8387 Intermediate Similarity NPC251855
0.8387 Intermediate Similarity NPC475169
0.8385 Intermediate Similarity NPC173660
0.8385 Intermediate Similarity NPC476698
0.8385 Intermediate Similarity NPC472334
0.8385 Intermediate Similarity NPC472336
0.8385 Intermediate Similarity NPC286843
0.8385 Intermediate Similarity NPC205442
0.8374 Intermediate Similarity NPC165375
0.8374 Intermediate Similarity NPC220598
0.8372 Intermediate Similarity NPC106215
0.8361 Intermediate Similarity NPC49341
0.8359 Intermediate Similarity NPC102256
0.8359 Intermediate Similarity NPC218884
0.8359 Intermediate Similarity NPC161203
0.8359 Intermediate Similarity NPC137669
0.8348 Intermediate Similarity NPC82016
0.8347 Intermediate Similarity NPC474565
0.8347 Intermediate Similarity NPC222175
0.8346 Intermediate Similarity NPC307042
0.8346 Intermediate Similarity NPC240722
0.8346 Intermediate Similarity NPC126836
0.8346 Intermediate Similarity NPC244799
0.8346 Intermediate Similarity NPC79184
0.8333 Intermediate Similarity NPC474623
0.8333 Intermediate Similarity NPC222127
0.8333 Intermediate Similarity NPC210674
0.8333 Intermediate Similarity NPC82862
0.8333 Intermediate Similarity NPC474651
0.8333 Intermediate Similarity NPC28765
0.8333 Intermediate Similarity NPC154866
0.8321 Intermediate Similarity NPC102904
0.8321 Intermediate Similarity NPC272157
0.8321 Intermediate Similarity NPC326797

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC474612 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
0.84 Intermediate Similarity NPD3018 Phase 2
0.8293 Intermediate Similarity NPD2981 Phase 2
0.8268 Intermediate Similarity NPD3027 Phase 3
0.8226 Intermediate Similarity NPD2982 Phase 2
0.8226 Intermediate Similarity NPD2983 Phase 2
0.8067 Intermediate Similarity NPD5283 Phase 1
0.792 Intermediate Similarity NPD3705 Approved
0.7907 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7899 Intermediate Similarity NPD228 Approved
0.7829 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7803 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7803 Intermediate Similarity NPD1613 Approved
0.7787 Intermediate Similarity NPD6671 Approved
0.7778 Intermediate Similarity NPD3539 Phase 1
0.7761 Intermediate Similarity NPD6111 Discontinued
0.7752 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7721 Intermediate Similarity NPD3540 Phase 1
0.7656 Intermediate Similarity NPD4749 Approved
0.7535 Intermediate Similarity NPD1940 Clinical (unspecified phase)
0.752 Intermediate Similarity NPD5536 Phase 2
0.7519 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD5307 Clinical (unspecified phase)
0.7462 Intermediate Similarity NPD2922 Phase 1
0.746 Intermediate Similarity NPD1548 Phase 1
0.7447 Intermediate Similarity NPD7124 Phase 2
0.7444 Intermediate Similarity NPD4625 Phase 3
0.7422 Intermediate Similarity NPD3496 Discontinued
0.7417 Intermediate Similarity NPD290 Approved
0.7415 Intermediate Similarity NPD2801 Approved
0.7368 Intermediate Similarity NPD4908 Phase 1
0.7364 Intermediate Similarity NPD1610 Phase 2
0.7355 Intermediate Similarity NPD2684 Approved
0.7328 Intermediate Similarity NPD6696 Suspended
0.7323 Intermediate Similarity NPD7533 Approved
0.7323 Intermediate Similarity NPD7534 Approved
0.731 Intermediate Similarity NPD1653 Approved
0.7295 Intermediate Similarity NPD4750 Phase 3
0.7293 Intermediate Similarity NPD2861 Phase 2
0.7288 Intermediate Similarity NPD846 Approved
0.7288 Intermediate Similarity NPD940 Approved
0.7266 Intermediate Similarity NPD1357 Approved
0.7259 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7259 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7258 Intermediate Similarity NPD7843 Approved
0.7254 Intermediate Similarity NPD2219 Phase 1
0.7239 Intermediate Similarity NPD5752 Clinical (unspecified phase)
0.7231 Intermediate Similarity NPD1091 Approved
0.7231 Intermediate Similarity NPD422 Phase 1
0.7222 Intermediate Similarity NPD1424 Approved
0.7222 Intermediate Similarity NPD7157 Approved
0.7171 Intermediate Similarity NPD5494 Approved
0.7152 Intermediate Similarity NPD7975 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD6055 Clinical (unspecified phase)
0.7133 Intermediate Similarity NPD3817 Phase 2
0.7132 Intermediate Similarity NPD5718 Phase 2
0.7132 Intermediate Similarity NPD5691 Approved
0.7123 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7121 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7114 Intermediate Similarity NPD1934 Approved
0.7113 Intermediate Similarity NPD5177 Phase 3
0.7111 Intermediate Similarity NPD600 Approved
0.7111 Intermediate Similarity NPD596 Approved
0.7109 Intermediate Similarity NPD1408 Clinical (unspecified phase)
0.7077 Intermediate Similarity NPD1778 Approved
0.7077 Intermediate Similarity NPD4626 Approved
0.7068 Intermediate Similarity NPD8651 Approved
0.7059 Intermediate Similarity NPD289 Clinical (unspecified phase)
0.7049 Intermediate Similarity NPD968 Approved
0.7047 Intermediate Similarity NPD5090 Approved
0.7047 Intermediate Similarity NPD5089 Approved
0.7034 Intermediate Similarity NPD5297 Approved
0.7034 Intermediate Similarity NPD4357 Discontinued
0.7027 Intermediate Similarity NPD7261 Clinical (unspecified phase)
0.7021 Intermediate Similarity NPD6100 Approved
0.7021 Intermediate Similarity NPD6099 Approved
0.7016 Intermediate Similarity NPD5451 Approved
0.7007 Intermediate Similarity NPD5109 Approved
0.7007 Intermediate Similarity NPD5110 Phase 2
0.7007 Intermediate Similarity NPD5111 Phase 2
0.7 Intermediate Similarity NPD37 Approved
0.6992 Remote Similarity NPD1358 Approved
0.698 Remote Similarity NPD4678 Approved
0.698 Remote Similarity NPD4675 Approved
0.6978 Remote Similarity NPD447 Suspended
0.6974 Remote Similarity NPD3882 Suspended
0.6974 Remote Similarity NPD6788 Approved
0.6972 Remote Similarity NPD1375 Discontinued
0.697 Remote Similarity NPD1611 Approved
0.6957 Remote Similarity NPD839 Approved
0.6957 Remote Similarity NPD2674 Phase 3
0.6957 Remote Similarity NPD840 Approved
0.6954 Remote Similarity NPD2393 Clinical (unspecified phase)
0.6954 Remote Similarity NPD4585 Approved
0.6953 Remote Similarity NPD709 Approved
0.695 Remote Similarity NPD6029 Clinical (unspecified phase)
0.695 Remote Similarity NPD6028 Clinical (unspecified phase)
0.6939 Remote Similarity NPD1349 Approved
0.6939 Remote Similarity NPD1351 Approved
0.6939 Remote Similarity NPD1350 Approved
0.6934 Remote Similarity NPD2669 Clinical (unspecified phase)
0.6928 Remote Similarity NPD4055 Discovery
0.6923 Remote Similarity NPD9296 Approved
0.6918 Remote Similarity NPD1774 Approved
0.6918 Remote Similarity NPD1511 Approved
0.6917 Remote Similarity NPD2230 Approved
0.6917 Remote Similarity NPD1242 Phase 1
0.6917 Remote Similarity NPD2233 Approved
0.6917 Remote Similarity NPD2232 Approved
0.6913 Remote Similarity NPD4005 Discontinued
0.6912 Remote Similarity NPD2237 Approved
0.6911 Remote Similarity NPD3134 Approved
0.6908 Remote Similarity NPD6374 Clinical (unspecified phase)
0.6906 Remote Similarity NPD2238 Phase 2
0.6906 Remote Similarity NPD1558 Phase 1
0.6905 Remote Similarity NPD1139 Approved
0.6905 Remote Similarity NPD1137 Approved
0.6903 Remote Similarity NPD1247 Approved
0.6901 Remote Similarity NPD2796 Approved
0.6879 Remote Similarity NPD6895 Approved
0.6879 Remote Similarity NPD6896 Approved
0.6879 Remote Similarity NPD2200 Suspended
0.6875 Remote Similarity NPD1652 Phase 2
0.6875 Remote Similarity NPD4236 Phase 3
0.6875 Remote Similarity NPD4237 Approved
0.6875 Remote Similarity NPD6674 Discontinued
0.687 Remote Similarity NPD5585 Approved
0.6866 Remote Similarity NPD3600 Clinical (unspecified phase)
0.6864 Remote Similarity NPD844 Approved
0.6863 Remote Similarity NPD4967 Phase 2
0.6863 Remote Similarity NPD4966 Approved
0.6863 Remote Similarity NPD4965 Approved
0.6861 Remote Similarity NPD1008 Clinical (unspecified phase)
0.686 Remote Similarity NPD291 Approved
0.6859 Remote Similarity NPD6232 Discontinued
0.6855 Remote Similarity NPD5844 Phase 1
0.685 Remote Similarity NPD1138 Approved
0.6835 Remote Similarity NPD7473 Discontinued
0.6835 Remote Similarity NPD1726 Clinical (unspecified phase)
0.6828 Remote Similarity NPD3892 Phase 2
0.6828 Remote Similarity NPD7466 Approved
0.6828 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6824 Remote Similarity NPD1512 Approved
0.6824 Remote Similarity NPD7314 Clinical (unspecified phase)
0.6822 Remote Similarity NPD2557 Approved
0.6822 Remote Similarity NPD6387 Discontinued
0.6818 Remote Similarity NPD17 Approved
0.6809 Remote Similarity NPD1772 Clinical (unspecified phase)
0.6797 Remote Similarity NPD5353 Approved
0.6797 Remote Similarity NPD5402 Approved
0.6795 Remote Similarity NPD7199 Phase 2
0.6786 Remote Similarity NPD3620 Phase 2
0.6786 Remote Similarity NPD3619 Clinical (unspecified phase)
0.6786 Remote Similarity NPD1240 Approved
0.6783 Remote Similarity NPD9295 Approved
0.6783 Remote Similarity NPD2935 Discontinued
0.6781 Remote Similarity NPD2677 Approved
0.6779 Remote Similarity NPD5976 Discontinued
0.6776 Remote Similarity NPD3382 Approved
0.6776 Remote Similarity NPD3383 Approved
0.6776 Remote Similarity NPD3384 Approved
0.6774 Remote Similarity NPD6234 Discontinued
0.6772 Remote Similarity NPD6167 Clinical (unspecified phase)
0.6772 Remote Similarity NPD6168 Clinical (unspecified phase)
0.6772 Remote Similarity NPD6166 Phase 2
0.6769 Remote Similarity NPD7340 Approved
0.6763 Remote Similarity NPD3145 Approved
0.6763 Remote Similarity NPD3144 Approved
0.6759 Remote Similarity NPD5698 Clinical (unspecified phase)
0.6759 Remote Similarity NPD3060 Approved
0.6753 Remote Similarity NPD4868 Clinical (unspecified phase)
0.675 Remote Similarity NPD7054 Approved
0.6746 Remote Similarity NPD3021 Approved
0.6746 Remote Similarity NPD3022 Approved
0.6744 Remote Similarity NPD593 Approved
0.6744 Remote Similarity NPD595 Approved
0.6742 Remote Similarity NPD3444 Approved
0.6742 Remote Similarity NPD6382 Discontinued
0.6742 Remote Similarity NPD1651 Approved
0.6742 Remote Similarity NPD3445 Approved
0.6742 Remote Similarity NPD3443 Approved
0.6741 Remote Similarity NPD5327 Phase 3
0.6738 Remote Similarity NPD3657 Discovery
0.6738 Remote Similarity NPD230 Phase 1
0.6738 Remote Similarity NPD1933 Approved
0.6736 Remote Similarity NPD5763 Approved
0.6736 Remote Similarity NPD5762 Approved
0.6731 Remote Similarity NPD5677 Discontinued
0.6719 Remote Similarity NPD5535 Approved
0.6719 Remote Similarity NPD821 Approved
0.6719 Remote Similarity NPD7635 Approved
0.6718 Remote Similarity NPD7644 Approved
0.6714 Remote Similarity NPD554 Clinical (unspecified phase)
0.6709 Remote Similarity NPD7184 Clinical (unspecified phase)
0.6709 Remote Similarity NPD3926 Phase 2
0.6708 Remote Similarity NPD7472 Approved
0.6708 Remote Similarity NPD7074 Phase 3
0.6694 Remote Similarity NPD9697 Approved
0.669 Remote Similarity NPD1607 Approved
0.669 Remote Similarity NPD970 Clinical (unspecified phase)
0.669 Remote Similarity NPD7153 Discontinued

Structure

External Identifiers

PubChem CID   14487956
ChEMBL   CHEMBL476872
ZINC  

Physicochemical Properties

Molecular Weight:  440.33
ALogP:  5.4186
MLogP:  4.32
XLogP:  8.4
# Rotatable Bonds:  22
Polar Surface Area:  27.69
# H-Bond Aceptor:  0
# H-Bond Donor:  0
# Rings:  1
# Heavy Atoms:  32

Download Data

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Structure MOL file  
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Biological Activities  
Similar NPs/Drugs