Natural Product: NPC470700

Natural Product ID:  NPC470700
Common Name:   5-[(E)-14-(3,5-Dihydroxyphenyl)Tetradec-8-Enyl]Benzene-1,3-Diol
IUPAC Name:   5-[(E)-14-(3,5-dihydroxyphenyl)tetradec-8-enyl]benzene-1,3-diol
Synonyms:  
Molecular Formula:   C26H36O4
Standard InCHIKey:  INRCFVYVWPWZJS-HNQUOIGGSA-N
Standard InCHI:  InChI=1S/C26H36O4/c27-23-15-21(16-24(28)19-23)13-11-9-7-5-3-1-2-4-6-8-10-12-14-22-17-25(29)20-26(30)18-22/h1,3,15-20,27-30H,2,4-14H2/b3-1+
Canonical SMILES:  Oc1cc(CCCCCCC/C=C/CCCCCc2cc(O)cc(c2)O)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
NPO8945 Grevillea robusta Species Proteaceae Eukaryota Leaves PMID[17243726]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT397 Cell Line NCI-H460 Homo sapiens IC50 = 27700 nM 25221651
NPT83 Cell Line MCF7 Homo sapiens IC50 = 28600 nM 22834923
NPT395 Cell Line SF-268 Homo sapiens IC50 = 30600 nM 18973388

  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 NPC470700 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 NPC109691
1.0 High Similarity NPC302681
1.0 High Similarity NPC118286
1.0 High Similarity NPC39097
1.0 High Similarity NPC39664
0.9899 High Similarity NPC54844
0.9898 High Similarity NPC134829
0.9898 High Similarity NPC246056
0.9796 High Similarity NPC241891
0.9592 High Similarity NPC72947
0.9592 High Similarity NPC100340
0.9592 High Similarity NPC143659
0.9592 High Similarity NPC284011
0.9495 High Similarity NPC168303
0.9495 High Similarity NPC24404
0.9495 High Similarity NPC242342
0.9495 High Similarity NPC146798
0.9495 High Similarity NPC85479
0.9495 High Similarity NPC302219
0.9495 High Similarity NPC313030
0.9495 High Similarity NPC222522
0.9495 High Similarity NPC249828
0.9495 High Similarity NPC71002
0.9495 High Similarity NPC106396
0.9495 High Similarity NPC53051
0.9495 High Similarity NPC94351
0.949 High Similarity NPC10588
0.94 High Similarity NPC30506
0.94 High Similarity NPC102216
0.9394 High Similarity NPC147310
0.9394 High Similarity NPC11280
0.9394 High Similarity NPC24407
0.9394 High Similarity NPC294186
0.9394 High Similarity NPC192032
0.9394 High Similarity NPC166313
0.9394 High Similarity NPC137415
0.932 High Similarity NPC33728
0.932 High Similarity NPC19808
0.9293 High Similarity NPC166761
0.9286 High Similarity NPC291789
0.9238 High Similarity NPC166995
0.9238 High Similarity NPC43525
0.9223 High Similarity NPC174981
0.9151 High Similarity NPC261343
0.9151 High Similarity NPC23804
0.9143 High Similarity NPC165770
0.9143 High Similarity NPC476632
0.9143 High Similarity NPC4493
0.9143 High Similarity NPC225679
0.9143 High Similarity NPC224527
0.9126 High Similarity NPC232523
0.9126 High Similarity NPC158253
0.9126 High Similarity NPC305603
0.9126 High Similarity NPC61033
0.9126 High Similarity NPC204901
0.9118 High Similarity NPC292452
0.9118 High Similarity NPC474839
0.91 High Similarity NPC248573
0.91 High Similarity NPC275053
0.91 High Similarity NPC161571
0.9082 High Similarity NPC32714
0.9029 High Similarity NPC201662
0.9029 High Similarity NPC99836
0.9029 High Similarity NPC12640
0.902 High Similarity NPC119860
0.8991 High Similarity NPC470760
0.8991 High Similarity NPC15860
0.8991 High Similarity NPC219070
0.8991 High Similarity NPC470759
0.8991 High Similarity NPC127894
0.898 High Similarity NPC76938
0.8972 High Similarity NPC117846
0.8962 High Similarity NPC268032
0.8932 High Similarity NPC37802
0.8899 High Similarity NPC114064
0.8899 High Similarity NPC115808
0.8889 High Similarity NPC107240
0.8868 High Similarity NPC475018
0.8857 High Similarity NPC61885
0.8857 High Similarity NPC63698
0.8846 High Similarity NPC248904
0.8835 High Similarity NPC218879
0.8835 High Similarity NPC227458
0.8835 High Similarity NPC244513
0.8807 High Similarity NPC53906
0.8807 High Similarity NPC84999
0.8807 High Similarity NPC246760
0.8774 High Similarity NPC186385
0.8774 High Similarity NPC299568
0.8774 High Similarity NPC202647
0.8739 High Similarity NPC144343
0.8739 High Similarity NPC9592
0.8739 High Similarity NPC48781
0.8725 High Similarity NPC294741
0.8716 High Similarity NPC22610
0.8716 High Similarity NPC276737
0.87 High Similarity NPC274678
0.8687 High Similarity NPC306884
0.8687 High Similarity NPC295295
0.8687 High Similarity NPC94139
0.8687 High Similarity NPC147284
0.8687 High Similarity NPC162314
0.8687 High Similarity NPC210497
0.8687 High Similarity NPC3358
0.8679 High Similarity NPC105727
0.8679 High Similarity NPC58427
0.8679 High Similarity NPC114392
0.8679 High Similarity NPC34864
0.8673 High Similarity NPC24125
0.8673 High Similarity NPC192
0.8661 High Similarity NPC217174
0.8654 High Similarity NPC323810
0.8649 High Similarity NPC33270
0.8649 High Similarity NPC277588
0.8649 High Similarity NPC69261
0.8649 High Similarity NPC474933
0.8636 High Similarity NPC808
0.86 High Similarity NPC151715
0.8596 High Similarity NPC237667
0.8585 High Similarity NPC176527
0.8584 High Similarity NPC69006
0.8584 High Similarity NPC223451
0.8571 High Similarity NPC190514
0.8559 High Similarity NPC141090
0.8559 High Similarity NPC123559
0.8559 High Similarity NPC150624
0.8558 High Similarity NPC315022
0.8558 High Similarity NPC168393
0.8515 High Similarity NPC26244
0.8496 Intermediate Similarity NPC184302
0.8496 Intermediate Similarity NPC191866
0.8476 Intermediate Similarity NPC315936
0.8468 Intermediate Similarity NPC472893
0.8468 Intermediate Similarity NPC167934
0.8462 Intermediate Similarity NPC91461
0.8462 Intermediate Similarity NPC7686
0.8462 Intermediate Similarity NPC40258
0.8455 Intermediate Similarity NPC62546
0.8455 Intermediate Similarity NPC263753
0.8455 Intermediate Similarity NPC162113
0.8455 Intermediate Similarity NPC319803
0.8448 Intermediate Similarity NPC53567
0.8447 Intermediate Similarity NPC80027
0.8435 Intermediate Similarity NPC39029
0.8435 Intermediate Similarity NPC476633
0.8431 Intermediate Similarity NPC473388
0.8431 Intermediate Similarity NPC216520
0.8431 Intermediate Similarity NPC292730
0.8431 Intermediate Similarity NPC82664
0.8431 Intermediate Similarity NPC132271
0.8407 Intermediate Similarity NPC206
0.84 Intermediate Similarity NPC45040
0.8378 Intermediate Similarity NPC228287
0.8378 Intermediate Similarity NPC180508
0.8376 Intermediate Similarity NPC140521
0.8365 Intermediate Similarity NPC213730
0.8365 Intermediate Similarity NPC48730
0.8365 Intermediate Similarity NPC129373
0.8365 Intermediate Similarity NPC248396
0.8362 Intermediate Similarity NPC120172
0.8362 Intermediate Similarity NPC77789
0.8362 Intermediate Similarity NPC122175
0.8362 Intermediate Similarity NPC18128
0.8349 Intermediate Similarity NPC2682
0.8349 Intermediate Similarity NPC242178
0.8349 Intermediate Similarity NPC168657
0.8349 Intermediate Similarity NPC94045
0.8319 Intermediate Similarity NPC50521
0.8319 Intermediate Similarity NPC195466
0.8319 Intermediate Similarity NPC221549
0.8319 Intermediate Similarity NPC244816
0.8318 Intermediate Similarity NPC67250
0.8305 Intermediate Similarity NPC249836
0.8304 Intermediate Similarity NPC232165
0.8302 Intermediate Similarity NPC471511
0.8291 Intermediate Similarity NPC233526
0.8291 Intermediate Similarity NPC282496
0.8291 Intermediate Similarity NPC136319
0.8286 Intermediate Similarity NPC12221
0.8283 Intermediate Similarity NPC27974
0.8273 Intermediate Similarity NPC179002
0.8273 Intermediate Similarity NPC187583
0.8273 Intermediate Similarity NPC90520
0.8273 Intermediate Similarity NPC296920
0.8273 Intermediate Similarity NPC257430
0.8269 Intermediate Similarity NPC132078
0.8269 Intermediate Similarity NPC260775
0.8269 Intermediate Similarity NPC92730
0.8269 Intermediate Similarity NPC216468
0.8269 Intermediate Similarity NPC51333
0.8269 Intermediate Similarity NPC78119
0.8261 Intermediate Similarity NPC472071
0.8257 Intermediate Similarity NPC228343
0.8257 Intermediate Similarity NPC254833
0.8235 Intermediate Similarity NPC128062
0.823 Intermediate Similarity NPC229147
0.823 Intermediate Similarity NPC203113
0.823 Intermediate Similarity NPC85292
0.823 Intermediate Similarity NPC54507
0.822 Intermediate Similarity NPC174729

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC470700 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
0.91 High Similarity NPD1242 Phase 1
0.8774 High Similarity NPD4750 Phase 3
0.8641 High Similarity NPD846 Approved
0.8641 High Similarity NPD940 Approved
0.8515 High Similarity NPD2859 Approved
0.8515 High Similarity NPD2860 Approved
0.8447 Intermediate Similarity NPD3020 Approved
0.8416 Intermediate Similarity NPD2934 Approved
0.8416 Intermediate Similarity NPD2933 Approved
0.8257 Intermediate Similarity NPD3022 Approved
0.8257 Intermediate Similarity NPD3021 Approved
0.8155 Intermediate Similarity NPD844 Approved
0.7905 Intermediate Similarity NPD288 Approved
0.7886 Intermediate Similarity NPD3027 Phase 3
0.7885 Intermediate Similarity NPD1432 Clinical (unspecified phase)
0.7876 Intermediate Similarity NPD7635 Approved
0.785 Intermediate Similarity NPD289 Clinical (unspecified phase)
0.7755 Intermediate Similarity NPD9089 Approved
0.7748 Intermediate Similarity NPD2342 Discontinued
0.7742 Intermediate Similarity NPD4625 Phase 3
0.7686 Intermediate Similarity NPD4749 Approved
0.7667 Intermediate Similarity NPD1610 Phase 2
0.7661 Intermediate Similarity NPD4908 Phase 1
0.7661 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7653 Intermediate Similarity NPD9093 Approved
0.7627 Intermediate Similarity NPD1548 Phase 1
0.7619 Intermediate Similarity NPD845 Approved
0.7611 Intermediate Similarity NPD1792 Phase 2
0.7581 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.754 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7525 Intermediate Similarity NPD111 Approved
0.7523 Intermediate Similarity NPD3028 Approved
0.7521 Intermediate Similarity NPD6671 Approved
0.75 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD1445 Approved
0.75 Intermediate Similarity NPD1444 Approved
0.7442 Intermediate Similarity NPD2568 Approved
0.7422 Intermediate Similarity NPD1613 Approved
0.7422 Intermediate Similarity NPD943 Approved
0.7422 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7419 Intermediate Similarity NPD4339 Clinical (unspecified phase)
0.7402 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.735 Intermediate Similarity NPD2228 Approved
0.735 Intermediate Similarity NPD2234 Approved
0.735 Intermediate Similarity NPD2229 Approved
0.7333 Intermediate Similarity NPD3091 Approved
0.7315 Intermediate Similarity NPD1809 Phase 2
0.7308 Intermediate Similarity NPD9094 Approved
0.7288 Intermediate Similarity NPD1476 Clinical (unspecified phase)
0.728 Intermediate Similarity NPD3094 Phase 2
0.7273 Intermediate Similarity NPD4093 Discontinued
0.7258 Intermediate Similarity NPD2982 Phase 2
0.7258 Intermediate Similarity NPD2983 Phase 2
0.7258 Intermediate Similarity NPD3600 Clinical (unspecified phase)
0.7236 Intermediate Similarity NPD1201 Approved
0.7236 Intermediate Similarity NPD3092 Approved
0.7236 Intermediate Similarity NPD5351 Clinical (unspecified phase)
0.7236 Intermediate Similarity NPD5350 Clinical (unspecified phase)
0.7213 Intermediate Similarity NPD2286 Discontinued
0.7213 Intermediate Similarity NPD4059 Approved
0.7213 Intermediate Similarity NPD5238 Clinical (unspecified phase)
0.7213 Intermediate Similarity NPD3019 Approved
0.7213 Intermediate Similarity NPD2932 Approved
0.7209 Intermediate Similarity NPD6405 Approved
0.7209 Intermediate Similarity NPD6407 Approved
0.7203 Intermediate Similarity NPD5283 Phase 1
0.7193 Intermediate Similarity NPD968 Approved
0.7182 Intermediate Similarity NPD9273 Approved
0.7177 Intermediate Similarity NPD2981 Phase 2
0.7167 Intermediate Similarity NPD7325 Clinical (unspecified phase)
0.7165 Intermediate Similarity NPD2861 Phase 2
0.7165 Intermediate Similarity NPD3018 Phase 2
0.7143 Intermediate Similarity NPD1470 Approved
0.7143 Intermediate Similarity NPD6099 Approved
0.7143 Intermediate Similarity NPD6100 Approved
0.7132 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7097 Intermediate Similarity NPD422 Phase 1
0.7094 Intermediate Similarity NPD9280 Clinical (unspecified phase)
0.7087 Intermediate Similarity NPD858 Approved
0.7087 Intermediate Similarity NPD602 Approved
0.7087 Intermediate Similarity NPD599 Approved
0.7087 Intermediate Similarity NPD859 Approved
0.708 Intermediate Similarity NPD9500 Approved
0.7073 Intermediate Similarity NPD3095 Discontinued
0.7068 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7063 Intermediate Similarity NPD5311 Approved
0.7063 Intermediate Similarity NPD5310 Approved
0.7049 Intermediate Similarity NPD2226 Clinical (unspecified phase)
0.7034 Intermediate Similarity NPD6124 Clinical (unspecified phase)
0.7034 Intermediate Similarity NPD228 Approved
0.7009 Intermediate Similarity NPD9380 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD1793 Approved
0.7 Intermediate Similarity NPD1791 Approved
0.7 Intermediate Similarity NPD497 Approved
0.6984 Remote Similarity NPD4659 Approved
0.6975 Remote Similarity NPD9379 Approved
0.6975 Remote Similarity NPD9377 Approved
0.6953 Remote Similarity NPD6584 Phase 3
0.694 Remote Similarity NPD1510 Phase 2
0.6939 Remote Similarity NPD9087 Approved
0.6935 Remote Similarity NPD1751 Approved
0.6935 Remote Similarity NPD4589 Approved
0.6934 Remote Similarity NPD3892 Phase 2
0.6934 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6917 Remote Similarity NPD495 Approved
0.6917 Remote Similarity NPD498 Approved
0.6917 Remote Similarity NPD5314 Approved
0.6917 Remote Similarity NPD7159 Clinical (unspecified phase)
0.6917 Remote Similarity NPD496 Approved
0.6911 Remote Similarity NPD5303 Approved
0.6911 Remote Similarity NPD5304 Approved
0.6911 Remote Similarity NPD7330 Discontinued
0.6906 Remote Similarity NPD7390 Discontinued
0.6905 Remote Similarity NPD9269 Phase 2
0.6905 Remote Similarity NPD2232 Approved
0.6905 Remote Similarity NPD2562 Approved
0.6905 Remote Similarity NPD2233 Approved
0.6905 Remote Similarity NPD1608 Approved
0.6905 Remote Similarity NPD2230 Approved
0.6905 Remote Similarity NPD2561 Approved
0.6899 Remote Similarity NPD5736 Approved
0.6894 Remote Similarity NPD3062 Approved
0.6894 Remote Similarity NPD3059 Approved
0.6894 Remote Similarity NPD1555 Discontinued
0.6894 Remote Similarity NPD2238 Phase 2
0.6894 Remote Similarity NPD3061 Approved
0.6894 Remote Similarity NPD6346 Approved
0.6894 Remote Similarity NPD1240 Approved
0.6889 Remote Similarity NPD5405 Approved
0.6889 Remote Similarity NPD5406 Approved
0.6889 Remote Similarity NPD5404 Approved
0.6889 Remote Similarity NPD5408 Approved
0.688 Remote Similarity NPD1981 Approved
0.688 Remote Similarity NPD1980 Approved
0.688 Remote Similarity NPD1983 Approved
0.6875 Remote Similarity NPD3053 Approved
0.6875 Remote Similarity NPD3055 Approved
0.6875 Remote Similarity NPD4104 Clinical (unspecified phase)
0.6875 Remote Similarity NPD4103 Phase 2
0.687 Remote Similarity NPD9608 Approved
0.687 Remote Similarity NPD9610 Approved
0.6864 Remote Similarity NPD5451 Approved
0.686 Remote Similarity NPD9614 Approved
0.686 Remote Similarity NPD9618 Approved
0.6857 Remote Similarity NPD7447 Phase 1
0.6855 Remote Similarity NPD9268 Approved
0.685 Remote Similarity NPD4379 Clinical (unspecified phase)
0.6838 Remote Similarity NPD7266 Discontinued
0.6833 Remote Similarity NPD7843 Approved
0.6833 Remote Similarity NPD5535 Approved
0.6832 Remote Similarity NPD9088 Approved
0.6812 Remote Similarity NPD3750 Approved
0.6803 Remote Similarity NPD7157 Approved
0.6803 Remote Similarity NPD709 Approved
0.68 Remote Similarity NPD9384 Approved
0.68 Remote Similarity NPD9381 Approved
0.6797 Remote Similarity NPD6696 Suspended
0.6794 Remote Similarity NPD7095 Approved
0.6791 Remote Similarity NPD1607 Approved
0.6783 Remote Similarity NPD5700 Clinical (unspecified phase)
0.678 Remote Similarity NPD2684 Approved
0.6774 Remote Similarity NPD7741 Discontinued
0.6774 Remote Similarity NPD1759 Phase 1
0.6772 Remote Similarity NPD2231 Phase 2
0.6772 Remote Similarity NPD2235 Phase 2
0.6767 Remote Similarity NPD4060 Phase 1
0.6765 Remote Similarity NPD2935 Discontinued
0.6748 Remote Similarity NPD405 Clinical (unspecified phase)
0.6746 Remote Similarity NPD3847 Discontinued
0.6746 Remote Similarity NPD3023 Approved
0.6746 Remote Similarity NPD3026 Approved
0.6744 Remote Similarity NPD1164 Approved
0.6744 Remote Similarity NPD2797 Approved
0.6742 Remote Similarity NPD3764 Approved
0.6742 Remote Similarity NPD2028 Clinical (unspecified phase)
0.6741 Remote Similarity NPD4978 Clinical (unspecified phase)
0.6738 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6733 Remote Similarity NPD9294 Approved
0.672 Remote Similarity NPD3025 Approved
0.672 Remote Similarity NPD3024 Approved
0.6719 Remote Similarity NPD6582 Phase 2
0.6719 Remote Similarity NPD6583 Phase 3
0.6719 Remote Similarity NPD1755 Approved
0.6715 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6715 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6696 Remote Similarity NPD4818 Approved
0.6696 Remote Similarity NPD4817 Approved
0.6695 Remote Similarity NPD9265 Clinical (unspecified phase)
0.6694 Remote Similarity NPD9613 Approved
0.6694 Remote Similarity NPD9616 Approved
0.6694 Remote Similarity NPD856 Approved
0.6694 Remote Similarity NPD9615 Approved
0.6694 Remote Similarity NPD16 Approved
0.6694 Remote Similarity NPD1758 Phase 1
0.6693 Remote Similarity NPD1091 Approved
0.6692 Remote Similarity NPD2194 Approved
0.6692 Remote Similarity NPD7451 Discontinued
0.6692 Remote Similarity NPD2195 Approved
0.6692 Remote Similarity NPD6663 Approved
0.6691 Remote Similarity NPD3299 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   10093115
ChEMBL   CHEMBL218716
ZINC  

Physicochemical Properties

Molecular Weight:  412.26
ALogP:  -3.0414
MLogP:  3.88
XLogP:  8.358
# Rotatable Bonds:  18
Polar Surface Area:  80.92
# H-Bond Aceptor:  0
# H-Bond Donor:  4
# Rings:  2
# Heavy Atoms:  30

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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