Natural Product: NPC134829

Natural Product ID:  NPC134829
Common Name:   5-(12'-Phenyldodecyl)-Resorcinol
IUPAC Name:   5-(12-phenyldodecyl)benzene-1,3-diol
Synonyms:  
Molecular Formula:   C24H34O2
Standard InCHIKey:  LBWBDHYIXVJYGM-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C24H34O2/c25-23-18-22(19-24(26)20-23)17-11-8-6-4-2-1-3-5-7-10-14-21-15-12-9-13-16-21/h9,12-13,15-16,18-20,25-26H,1-8,10-11,14,17H2
Canonical SMILES:  Oc1cc(CCCCCCCCCCCCc2ccccc2)cc(c1)O
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
NPO4957 Epimedium brevicornu Species Berberidaceae Eukaryota UNPD*
NPO4632 Crataegus pyracantha Species Rosaceae Eukaryota UNPD*
NPO1623 Acarospora gobiensis Species Acarosporaceae Eukaryota UNPD*
NPO11344 Pilea cavaleriei Species Urticaceae Eukaryota UNPD*
NPO7774 Cliona copiosa Species Clionaidae Eukaryota UNPD*
NPO6734 Gladiolus atroviolaceus Species Iridaceae Eukaryota UNPD*
NPO987 Cruciata taurica Species Rubiaceae Eukaryota UNPD*
NPO561 Lindsaea chienii Species Lindsaeaceae Eukaryota UNPD*
NPO10974 Acarus immobilis Species Acaridae Eukaryota UNPD*
NPO10410 Zephyranthes andersoniana Species Amaryllidaceae Eukaryota UNPD*
NPO11253 Knema glomerata Species Myristicaceae Eukaryota PMID[8201311]
NPO7502 Salpa thompsoni Species Salpidae Eukaryota UNPD*
NPO11121 Myrothamnus flabellifolia Species Myrothamnaceae Eukaryota UNPD*
NPO2600 Alicyclobacillus acidoterrestris Species Alicyclobacillaceae Bacteria UNPD*
NPO4339 Carthamus oxyacanthus Species Asteraceae Eukaryota UNPD*
NPO12319 Xanthogaleruca luteola Species Chrysomelidae Eukaryota UNPD*
NPO9687 Evernia esorediosa Species Parmeliaceae Eukaryota UNPD*
NPO7911 Bignonia gracilis Species Bignoniaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT140 Organism Artemia Artemia LC50 = 0.33 ug/ml 8201311
NPT81 Cell Line A549 Homo sapiens ED50 = 3.26 ug/ml 8201311
NPT83 Cell Line MCF7 Homo sapiens ED50 = 1.84 ug/ml 8201311
NPT139 Cell Line HT-29 Homo sapiens ED50 = 2.87 ug/ml 8201311

  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 NPC134829 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
0.9898 High Similarity NPC302681
0.9898 High Similarity NPC39097
0.9898 High Similarity NPC39664
0.9898 High Similarity NPC109691
0.9898 High Similarity NPC118286
0.9898 High Similarity NPC470700
0.9897 High Similarity NPC241891
0.9798 High Similarity NPC54844
0.9796 High Similarity NPC246056
0.9691 High Similarity NPC100340
0.9691 High Similarity NPC143659
0.9691 High Similarity NPC284011
0.9691 High Similarity NPC72947
0.9592 High Similarity NPC146798
0.9592 High Similarity NPC94351
0.9592 High Similarity NPC85479
0.9592 High Similarity NPC302219
0.9592 High Similarity NPC106396
0.9592 High Similarity NPC24404
0.9592 High Similarity NPC313030
0.9592 High Similarity NPC222522
0.9592 High Similarity NPC249828
0.9592 High Similarity NPC242342
0.9592 High Similarity NPC53051
0.9592 High Similarity NPC168303
0.9592 High Similarity NPC71002
0.9588 High Similarity NPC10588
0.9495 High Similarity NPC30506
0.9495 High Similarity NPC102216
0.949 High Similarity NPC166313
0.949 High Similarity NPC137415
0.949 High Similarity NPC11280
0.949 High Similarity NPC147310
0.949 High Similarity NPC24407
0.949 High Similarity NPC294186
0.949 High Similarity NPC192032
0.9412 High Similarity NPC19808
0.9412 High Similarity NPC33728
0.9388 High Similarity NPC166761
0.9381 High Similarity NPC291789
0.9327 High Similarity NPC166995
0.9314 High Similarity NPC174981
0.9231 High Similarity NPC225679
0.9231 High Similarity NPC4493
0.9231 High Similarity NPC476632
0.9231 High Similarity NPC224527
0.9231 High Similarity NPC165770
0.9216 High Similarity NPC158253
0.9216 High Similarity NPC305603
0.9216 High Similarity NPC204901
0.9216 High Similarity NPC61033
0.9216 High Similarity NPC232523
0.9208 High Similarity NPC474839
0.9192 High Similarity NPC248573
0.9192 High Similarity NPC275053
0.9192 High Similarity NPC161571
0.9175 High Similarity NPC32714
0.9143 High Similarity NPC43525
0.9118 High Similarity NPC201662
0.9118 High Similarity NPC12640
0.9118 High Similarity NPC99836
0.9109 High Similarity NPC119860
0.9072 High Similarity NPC76938
0.9057 High Similarity NPC117846
0.9057 High Similarity NPC23804
0.9057 High Similarity NPC261343
0.902 High Similarity NPC37802
0.902 High Similarity NPC292452
0.8972 High Similarity NPC107240
0.8942 High Similarity NPC63698
0.8942 High Similarity NPC61885
0.8932 High Similarity NPC248904
0.8922 High Similarity NPC227458
0.8922 High Similarity NPC244513
0.8922 High Similarity NPC218879
0.8899 High Similarity NPC470760
0.8899 High Similarity NPC127894
0.8899 High Similarity NPC15860
0.8899 High Similarity NPC219070
0.8899 High Similarity NPC470759
0.8889 High Similarity NPC53906
0.8889 High Similarity NPC84999
0.8889 High Similarity NPC246760
0.8868 High Similarity NPC268032
0.8857 High Similarity NPC186385
0.8857 High Similarity NPC202647
0.8857 High Similarity NPC299568
0.8812 High Similarity NPC294741
0.8807 High Similarity NPC114064
0.8807 High Similarity NPC115808
0.8796 High Similarity NPC22610
0.8796 High Similarity NPC276737
0.8788 High Similarity NPC274678
0.8776 High Similarity NPC162314
0.8776 High Similarity NPC210497
0.8776 High Similarity NPC295295
0.8776 High Similarity NPC147284
0.8776 High Similarity NPC94139
0.8776 High Similarity NPC3358
0.8776 High Similarity NPC306884
0.8774 High Similarity NPC475018
0.8763 High Similarity NPC192
0.8727 High Similarity NPC69261
0.8727 High Similarity NPC33270
0.8727 High Similarity NPC474933
0.8716 High Similarity NPC808
0.8687 High Similarity NPC151715
0.8667 High Similarity NPC176527
0.8649 High Similarity NPC144343
0.8649 High Similarity NPC190514
0.8649 High Similarity NPC48781
0.8649 High Similarity NPC9592
0.8641 High Similarity NPC168393
0.8636 High Similarity NPC150624
0.8636 High Similarity NPC141090
0.86 High Similarity NPC26244
0.8585 High Similarity NPC58427
0.8585 High Similarity NPC114392
0.8585 High Similarity NPC34864
0.8585 High Similarity NPC105727
0.8584 High Similarity NPC24125
0.8571 High Similarity NPC184302
0.8571 High Similarity NPC217174
0.8559 High Similarity NPC277588
0.8558 High Similarity NPC323810
0.8545 High Similarity NPC167934
0.8532 High Similarity NPC62546
0.8532 High Similarity NPC263753
0.8532 High Similarity NPC162113
0.8532 High Similarity NPC319803
0.8529 High Similarity NPC80027
0.8515 High Similarity NPC82664
0.8515 High Similarity NPC473388
0.8515 High Similarity NPC216520
0.8515 High Similarity NPC132271
0.8515 High Similarity NPC292730
0.8509 High Similarity NPC237667
0.8496 Intermediate Similarity NPC223451
0.8496 Intermediate Similarity NPC69006
0.8485 Intermediate Similarity NPC45040
0.8482 Intermediate Similarity NPC206
0.8468 Intermediate Similarity NPC123559
0.8462 Intermediate Similarity NPC315022
0.8455 Intermediate Similarity NPC228287
0.8455 Intermediate Similarity NPC180508
0.8447 Intermediate Similarity NPC48730
0.8447 Intermediate Similarity NPC213730
0.8447 Intermediate Similarity NPC248396
0.8447 Intermediate Similarity NPC129373
0.8426 Intermediate Similarity NPC168657
0.8426 Intermediate Similarity NPC2682
0.8426 Intermediate Similarity NPC94045
0.8407 Intermediate Similarity NPC191866
0.8396 Intermediate Similarity NPC67250
0.8393 Intermediate Similarity NPC244816
0.8393 Intermediate Similarity NPC221549
0.8393 Intermediate Similarity NPC50521
0.8393 Intermediate Similarity NPC195466
0.8381 Intermediate Similarity NPC315936
0.8378 Intermediate Similarity NPC472893
0.8367 Intermediate Similarity NPC27974
0.8365 Intermediate Similarity NPC7686
0.8365 Intermediate Similarity NPC12221
0.8365 Intermediate Similarity NPC91461
0.8365 Intermediate Similarity NPC40258
0.8362 Intermediate Similarity NPC53567
0.835 Intermediate Similarity NPC51333
0.835 Intermediate Similarity NPC78119
0.835 Intermediate Similarity NPC92730
0.835 Intermediate Similarity NPC132078
0.835 Intermediate Similarity NPC216468
0.835 Intermediate Similarity NPC260775
0.8349 Intermediate Similarity NPC296920
0.8349 Intermediate Similarity NPC90520
0.8348 Intermediate Similarity NPC39029
0.8348 Intermediate Similarity NPC476633
0.8317 Intermediate Similarity NPC128062
0.8304 Intermediate Similarity NPC85292
0.8304 Intermediate Similarity NPC54507
0.8304 Intermediate Similarity NPC229147
0.8291 Intermediate Similarity NPC140521
0.8288 Intermediate Similarity NPC249270
0.8286 Intermediate Similarity NPC168829
0.8276 Intermediate Similarity NPC120172
0.8276 Intermediate Similarity NPC122175
0.8276 Intermediate Similarity NPC18128
0.8276 Intermediate Similarity NPC77789
0.8273 Intermediate Similarity NPC280606
0.8273 Intermediate Similarity NPC473521
0.8269 Intermediate Similarity NPC130756
0.8269 Intermediate Similarity NPC12931
0.8269 Intermediate Similarity NPC70677
0.8261 Intermediate Similarity NPC102639
0.8257 Intermediate Similarity NPC224870
0.8257 Intermediate Similarity NPC242178
0.8252 Intermediate Similarity NPC32674
0.8252 Intermediate Similarity NPC156313
0.8252 Intermediate Similarity NPC225464
0.8252 Intermediate Similarity NPC152097
0.8252 Intermediate Similarity NPC474073

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC134829 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
0.9192 High Similarity NPD1242 Phase 1
0.8857 High Similarity NPD4750 Phase 3
0.8725 High Similarity NPD940 Approved
0.8725 High Similarity NPD846 Approved
0.86 High Similarity NPD2859 Approved
0.86 High Similarity NPD2860 Approved
0.8529 High Similarity NPD3020 Approved
0.85 High Similarity NPD2934 Approved
0.85 High Similarity NPD2933 Approved
0.8235 Intermediate Similarity NPD844 Approved
0.8165 Intermediate Similarity NPD3022 Approved
0.8165 Intermediate Similarity NPD3021 Approved
0.7981 Intermediate Similarity NPD288 Approved
0.7961 Intermediate Similarity NPD1432 Clinical (unspecified phase)
0.7946 Intermediate Similarity NPD7635 Approved
0.7925 Intermediate Similarity NPD289 Clinical (unspecified phase)
0.7835 Intermediate Similarity NPD9089 Approved
0.7818 Intermediate Similarity NPD2342 Discontinued
0.7805 Intermediate Similarity NPD3027 Phase 3
0.7805 Intermediate Similarity NPD4625 Phase 3
0.775 Intermediate Similarity NPD4749 Approved
0.7732 Intermediate Similarity NPD9093 Approved
0.7731 Intermediate Similarity NPD1610 Phase 2
0.7692 Intermediate Similarity NPD1548 Phase 1
0.7692 Intermediate Similarity NPD845 Approved
0.7679 Intermediate Similarity NPD1792 Phase 2
0.76 Intermediate Similarity NPD111 Approved
0.7586 Intermediate Similarity NPD6671 Approved
0.7581 Intermediate Similarity NPD4908 Phase 1
0.7581 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7568 Intermediate Similarity NPD1445 Approved
0.7568 Intermediate Similarity NPD1444 Approved
0.7561 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.746 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.746 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7431 Intermediate Similarity NPD3028 Approved
0.7414 Intermediate Similarity NPD2229 Approved
0.7414 Intermediate Similarity NPD2228 Approved
0.7414 Intermediate Similarity NPD2234 Approved
0.7395 Intermediate Similarity NPD3091 Approved
0.7383 Intermediate Similarity NPD1809 Phase 2
0.7379 Intermediate Similarity NPD9094 Approved
0.7364 Intermediate Similarity NPD2568 Approved
0.735 Intermediate Similarity NPD1476 Clinical (unspecified phase)
0.7344 Intermediate Similarity NPD1613 Approved
0.7344 Intermediate Similarity NPD943 Approved
0.7344 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7339 Intermediate Similarity NPD4339 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD4093 Discontinued
0.7295 Intermediate Similarity NPD5350 Clinical (unspecified phase)
0.7295 Intermediate Similarity NPD1201 Approved
0.7295 Intermediate Similarity NPD5351 Clinical (unspecified phase)
0.7295 Intermediate Similarity NPD3092 Approved
0.7273 Intermediate Similarity NPD3019 Approved
0.7273 Intermediate Similarity NPD2286 Discontinued
0.7273 Intermediate Similarity NPD5238 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD2932 Approved
0.7273 Intermediate Similarity NPD4059 Approved
0.7257 Intermediate Similarity NPD968 Approved
0.7248 Intermediate Similarity NPD9273 Approved
0.7222 Intermediate Similarity NPD2861 Phase 2
0.72 Intermediate Similarity NPD3094 Phase 2
0.7197 Intermediate Similarity NPD6100 Approved
0.7197 Intermediate Similarity NPD6099 Approved
0.7177 Intermediate Similarity NPD2982 Phase 2
0.7177 Intermediate Similarity NPD3600 Clinical (unspecified phase)
0.7177 Intermediate Similarity NPD2983 Phase 2
0.7154 Intermediate Similarity NPD422 Phase 1
0.7143 Intermediate Similarity NPD9500 Approved
0.7143 Intermediate Similarity NPD602 Approved
0.7143 Intermediate Similarity NPD858 Approved
0.7143 Intermediate Similarity NPD859 Approved
0.7143 Intermediate Similarity NPD599 Approved
0.7132 Intermediate Similarity NPD6405 Approved
0.7132 Intermediate Similarity NPD6407 Approved
0.712 Intermediate Similarity NPD5311 Approved
0.712 Intermediate Similarity NPD5310 Approved
0.7119 Intermediate Similarity NPD5283 Phase 1
0.7107 Intermediate Similarity NPD2226 Clinical (unspecified phase)
0.7097 Intermediate Similarity NPD2981 Phase 2
0.7094 Intermediate Similarity NPD228 Approved
0.7087 Intermediate Similarity NPD3018 Phase 2
0.7083 Intermediate Similarity NPD7325 Clinical (unspecified phase)
0.7069 Intermediate Similarity NPD9380 Clinical (unspecified phase)
0.7063 Intermediate Similarity NPD1470 Approved
0.7059 Intermediate Similarity NPD1793 Approved
0.7059 Intermediate Similarity NPD1791 Approved
0.7054 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.704 Intermediate Similarity NPD4659 Approved
0.7034 Intermediate Similarity NPD9379 Approved
0.7034 Intermediate Similarity NPD9377 Approved
0.701 Intermediate Similarity NPD9087 Approved
0.7009 Intermediate Similarity NPD9280 Clinical (unspecified phase)
0.7008 Intermediate Similarity NPD6584 Phase 3
0.6992 Remote Similarity NPD3095 Discontinued
0.6992 Remote Similarity NPD1509 Clinical (unspecified phase)
0.6992 Remote Similarity NPD1751 Approved
0.6992 Remote Similarity NPD4589 Approved
0.6967 Remote Similarity NPD5303 Approved
0.6967 Remote Similarity NPD5304 Approved
0.6967 Remote Similarity NPD7330 Discontinued
0.696 Remote Similarity NPD2232 Approved
0.696 Remote Similarity NPD2233 Approved
0.696 Remote Similarity NPD2561 Approved
0.696 Remote Similarity NPD2230 Approved
0.696 Remote Similarity NPD2562 Approved
0.696 Remote Similarity NPD1608 Approved
0.6953 Remote Similarity NPD5736 Approved
0.6949 Remote Similarity NPD6124 Clinical (unspecified phase)
0.6947 Remote Similarity NPD2238 Phase 2
0.6947 Remote Similarity NPD1240 Approved
0.6935 Remote Similarity NPD1980 Approved
0.6935 Remote Similarity NPD1983 Approved
0.6935 Remote Similarity NPD1981 Approved
0.693 Remote Similarity NPD9608 Approved
0.693 Remote Similarity NPD9610 Approved
0.6929 Remote Similarity NPD3055 Approved
0.6929 Remote Similarity NPD4103 Phase 2
0.6929 Remote Similarity NPD3053 Approved
0.6929 Remote Similarity NPD4104 Clinical (unspecified phase)
0.6923 Remote Similarity NPD5451 Approved
0.6917 Remote Similarity NPD9618 Approved
0.6917 Remote Similarity NPD497 Approved
0.6917 Remote Similarity NPD9614 Approved
0.69 Remote Similarity NPD9088 Approved
0.6866 Remote Similarity NPD1510 Phase 2
0.6861 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6861 Remote Similarity NPD3892 Phase 2
0.686 Remote Similarity NPD709 Approved
0.6855 Remote Similarity NPD9384 Approved
0.6855 Remote Similarity NPD9381 Approved
0.685 Remote Similarity NPD6696 Suspended
0.6842 Remote Similarity NPD5700 Clinical (unspecified phase)
0.6842 Remote Similarity NPD1607 Approved
0.6842 Remote Similarity NPD5314 Approved
0.6838 Remote Similarity NPD2684 Approved
0.6835 Remote Similarity NPD7390 Discontinued
0.6833 Remote Similarity NPD496 Approved
0.6833 Remote Similarity NPD7159 Clinical (unspecified phase)
0.6833 Remote Similarity NPD495 Approved
0.6833 Remote Similarity NPD498 Approved
0.6825 Remote Similarity NPD9269 Phase 2
0.6825 Remote Similarity NPD2235 Phase 2
0.6825 Remote Similarity NPD2231 Phase 2
0.6818 Remote Similarity NPD3061 Approved
0.6818 Remote Similarity NPD6346 Approved
0.6818 Remote Similarity NPD1555 Discontinued
0.6818 Remote Similarity NPD3062 Approved
0.6818 Remote Similarity NPD3059 Approved
0.6815 Remote Similarity NPD5405 Approved
0.6815 Remote Similarity NPD5404 Approved
0.6815 Remote Similarity NPD5406 Approved
0.6815 Remote Similarity NPD5408 Approved
0.6803 Remote Similarity NPD405 Clinical (unspecified phase)
0.68 Remote Similarity NPD9294 Approved
0.6797 Remote Similarity NPD2797 Approved
0.6797 Remote Similarity NPD1164 Approved
0.6794 Remote Similarity NPD2028 Clinical (unspecified phase)
0.6786 Remote Similarity NPD7447 Phase 1
0.6774 Remote Similarity NPD9268 Approved
0.6772 Remote Similarity NPD4379 Clinical (unspecified phase)
0.6772 Remote Similarity NPD6583 Phase 3
0.6772 Remote Similarity NPD6582 Phase 2
0.6772 Remote Similarity NPD1755 Approved
0.6765 Remote Similarity NPD7266 Discontinued
0.6754 Remote Similarity NPD4818 Approved
0.6754 Remote Similarity NPD4817 Approved
0.6752 Remote Similarity NPD9265 Clinical (unspecified phase)
0.675 Remote Similarity NPD5535 Approved
0.675 Remote Similarity NPD7843 Approved
0.6748 Remote Similarity NPD16 Approved
0.6748 Remote Similarity NPD9613 Approved
0.6748 Remote Similarity NPD9616 Approved
0.6748 Remote Similarity NPD9615 Approved
0.6748 Remote Similarity NPD856 Approved
0.6744 Remote Similarity NPD2194 Approved
0.6744 Remote Similarity NPD2195 Approved
0.6742 Remote Similarity NPD6663 Approved
0.6739 Remote Similarity NPD3750 Approved
0.6721 Remote Similarity NPD7157 Approved
0.672 Remote Similarity NPD17 Approved
0.672 Remote Similarity NPD2667 Approved
0.672 Remote Similarity NPD2668 Approved
0.672 Remote Similarity NPD4626 Approved
0.6718 Remote Similarity NPD5156 Approved
0.6718 Remote Similarity NPD5155 Approved
0.6718 Remote Similarity NPD7095 Approved
0.6696 Remote Similarity NPD4656 Approved
0.6696 Remote Similarity NPD4658 Approved
0.6695 Remote Similarity NPD74 Approved
0.6695 Remote Similarity NPD9266 Approved
0.6694 Remote Similarity NPD7741 Discontinued
0.6694 Remote Similarity NPD316 Approved
0.6694 Remote Similarity NPD1759 Phase 1
0.6693 Remote Similarity NPD2337 Clinical (unspecified phase)
0.6692 Remote Similarity NPD3636 Approved
0.6692 Remote Similarity NPD3635 Approved
0.6692 Remote Similarity NPD3637 Approved
0.6692 Remote Similarity NPD4060 Phase 1

Structure

External Identifiers

PubChem CID   44575635
ChEMBL   CHEMBL516904
ZINC  

Physicochemical Properties

Molecular Weight:  354.26
ALogP:  -3.6758
MLogP:  3.88
XLogP:  10.928
# Rotatable Bonds:  15
Polar Surface Area:  40.46
# H-Bond Aceptor:  0
# H-Bond Donor:  2
# Rings:  2
# Heavy Atoms:  26

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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