Natural Product: NPC470726

Natural Product ID:  NPC470726
Common Name:   (1R)-7-Methoxy-1,6-Dimethyl-4-Propan-2-Yl-2H-Naphthalene-1,2-Diol
IUPAC Name:   (1R)-7-methoxy-1,6-dimethyl-4-propan-2-yl-2H-naphthalene-1,2-diol
Synonyms:  
Molecular Formula:   C16H22O3
Standard InCHIKey:  FWTBVJPUVTUZIQ-OEMAIJDKSA-N
Standard InCHI:  InChI=1S/C16H22O3/c1-9(2)11-7-15(17)16(4,18)13-8-14(19-5)10(3)6-12(11)13/h6-9,15,17-18H,1-5H3/t15?,16-/m1/s1
Canonical SMILES:  COc1cc2c(cc1C)C(=CC([C@]2(C)O)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
NPO32770 sterculia tavia Species Malvaceae Eukaryota Madagascar Rain Forest PMID[23149304]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT179 Cell Line A2780 Homo sapiens IC50 = 22100 nM 19361896

  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 NPC470726 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
0.975 High Similarity NPC470724
0.9435 High Similarity NPC470727
0.8943 High Similarity NPC152946
0.8889 High Similarity NPC186889
0.888 High Similarity NPC4286
0.888 High Similarity NPC76119
0.8828 High Similarity NPC196193
0.874 High Similarity NPC471077
0.873 High Similarity NPC293801
0.8729 High Similarity NPC470723
0.8712 High Similarity NPC68292
0.8692 High Similarity NPC18842
0.8629 High Similarity NPC129176
0.8626 High Similarity NPC227719
0.8605 High Similarity NPC472795
0.8605 High Similarity NPC472796
0.8594 High Similarity NPC469386
0.8583 High Similarity NPC105031
0.8583 High Similarity NPC124030
0.8571 High Similarity NPC472800
0.8571 High Similarity NPC327735
0.8561 High Similarity NPC311256
0.8538 High Similarity NPC11089
0.8538 High Similarity NPC143483
0.8537 High Similarity NPC154030
0.8529 High Similarity NPC186033
0.8527 High Similarity NPC472968
0.8527 High Similarity NPC223912
0.8527 High Similarity NPC38604
0.8527 High Similarity NPC211179
0.8492 Intermediate Similarity NPC57199
0.8473 Intermediate Similarity NPC78575
0.8473 Intermediate Similarity NPC312341
0.8468 Intermediate Similarity NPC469644
0.8462 Intermediate Similarity NPC472797
0.8438 Intermediate Similarity NPC81641
0.8433 Intermediate Similarity NPC126101
0.8421 Intermediate Similarity NPC16485
0.8413 Intermediate Similarity NPC168707
0.8413 Intermediate Similarity NPC48623
0.8413 Intermediate Similarity NPC474115
0.8409 Intermediate Similarity NPC59239
0.8409 Intermediate Similarity NPC228843
0.8409 Intermediate Similarity NPC472798
0.8397 Intermediate Similarity NPC99795
0.8387 Intermediate Similarity NPC471671
0.8374 Intermediate Similarity NPC312105
0.8372 Intermediate Similarity NPC82299
0.8346 Intermediate Similarity NPC26394
0.8346 Intermediate Similarity NPC46586
0.8346 Intermediate Similarity NPC204535
0.8346 Intermediate Similarity NPC150026
0.8333 Intermediate Similarity NPC45663
0.8333 Intermediate Similarity NPC160623
0.8333 Intermediate Similarity NPC132720
0.8321 Intermediate Similarity NPC265075
0.8309 Intermediate Similarity NPC114171
0.8309 Intermediate Similarity NPC230124
0.8309 Intermediate Similarity NPC184613
0.8309 Intermediate Similarity NPC6300
0.8308 Intermediate Similarity NPC5428
0.8308 Intermediate Similarity NPC118533
0.8308 Intermediate Similarity NPC21563
0.8308 Intermediate Similarity NPC165045
0.8308 Intermediate Similarity NPC473221
0.8306 Intermediate Similarity NPC477136
0.8306 Intermediate Similarity NPC304510
0.8306 Intermediate Similarity NPC172219
0.8296 Intermediate Similarity NPC29799
0.8296 Intermediate Similarity NPC209985
0.8296 Intermediate Similarity NPC156502
0.8296 Intermediate Similarity NPC177160
0.8296 Intermediate Similarity NPC10737
0.8296 Intermediate Similarity NPC477939
0.8296 Intermediate Similarity NPC54743
0.8296 Intermediate Similarity NPC263367
0.8295 Intermediate Similarity NPC148627
0.8295 Intermediate Similarity NPC131397
0.8295 Intermediate Similarity NPC476254
0.8284 Intermediate Similarity NPC471942
0.8284 Intermediate Similarity NPC209199
0.8284 Intermediate Similarity NPC187616
0.8284 Intermediate Similarity NPC49603
0.8284 Intermediate Similarity NPC193026
0.8281 Intermediate Similarity NPC474130
0.8281 Intermediate Similarity NPC474160
0.8271 Intermediate Similarity NPC230219
0.8271 Intermediate Similarity NPC312560
0.8271 Intermediate Similarity NPC85595
0.8258 Intermediate Similarity NPC325003
0.8258 Intermediate Similarity NPC470725
0.8254 Intermediate Similarity NPC260832
0.8254 Intermediate Similarity NPC282255
0.8254 Intermediate Similarity NPC232295
0.8254 Intermediate Similarity NPC3239
0.8254 Intermediate Similarity NPC474131
0.8254 Intermediate Similarity NPC135467
0.8254 Intermediate Similarity NPC103916
0.8244 Intermediate Similarity NPC307050
0.8244 Intermediate Similarity NPC38017
0.8244 Intermediate Similarity NPC201069
0.8244 Intermediate Similarity NPC215300
0.8244 Intermediate Similarity NPC277458
0.8244 Intermediate Similarity NPC470084
0.824 Intermediate Similarity NPC469609
0.8235 Intermediate Similarity NPC86605
0.8235 Intermediate Similarity NPC251306
0.8235 Intermediate Similarity NPC3072
0.8235 Intermediate Similarity NPC470722
0.8235 Intermediate Similarity NPC301765
0.8235 Intermediate Similarity NPC470721
0.8235 Intermediate Similarity NPC6100
0.8235 Intermediate Similarity NPC156888
0.8235 Intermediate Similarity NPC46277
0.8235 Intermediate Similarity NPC156948
0.8231 Intermediate Similarity NPC170485
0.8227 Intermediate Similarity NPC474397
0.8226 Intermediate Similarity NPC477137
0.8226 Intermediate Similarity NPC38893
0.8226 Intermediate Similarity NPC308311
0.8222 Intermediate Similarity NPC256262
0.8214 Intermediate Similarity NPC221318
0.8211 Intermediate Similarity NPC470837
0.8211 Intermediate Similarity NPC161696
0.8209 Intermediate Similarity NPC170185
0.8203 Intermediate Similarity NPC77789
0.8203 Intermediate Similarity NPC18128
0.8203 Intermediate Similarity NPC188997
0.8203 Intermediate Similarity NPC30462
0.8197 Intermediate Similarity NPC228452
0.8195 Intermediate Similarity NPC277804
0.8195 Intermediate Similarity NPC15543
0.8189 Intermediate Similarity NPC102639
0.8189 Intermediate Similarity NPC473875
0.8189 Intermediate Similarity NPC96423
0.8175 Intermediate Similarity NPC32630
0.8175 Intermediate Similarity NPC135961
0.8175 Intermediate Similarity NPC32152
0.8175 Intermediate Similarity NPC151197
0.8168 Intermediate Similarity NPC53781
0.8162 Intermediate Similarity NPC133025
0.816 Intermediate Similarity NPC25648
0.8156 Intermediate Similarity NPC274454
0.8156 Intermediate Similarity NPC233980
0.8156 Intermediate Similarity NPC471608
0.8156 Intermediate Similarity NPC215678
0.8154 Intermediate Similarity NPC9067
0.8154 Intermediate Similarity NPC105718
0.8154 Intermediate Similarity NPC278955
0.8151 Intermediate Similarity NPC21594
0.8148 Intermediate Similarity NPC473107
0.8145 Intermediate Similarity NPC35797
0.8145 Intermediate Similarity NPC283169
0.8145 Intermediate Similarity NPC474486
0.8145 Intermediate Similarity NPC192948
0.8143 Intermediate Similarity NPC164183
0.8143 Intermediate Similarity NPC473845
0.814 Intermediate Similarity NPC96940
0.814 Intermediate Similarity NPC261992
0.814 Intermediate Similarity NPC471693
0.8134 Intermediate Similarity NPC289624
0.8134 Intermediate Similarity NPC303144
0.8134 Intermediate Similarity NPC27578
0.8134 Intermediate Similarity NPC165612
0.813 Intermediate Similarity NPC141003
0.813 Intermediate Similarity NPC35344
0.8129 Intermediate Similarity NPC470917
0.8125 Intermediate Similarity NPC476633
0.8125 Intermediate Similarity NPC476343
0.812 Intermediate Similarity NPC174495
0.812 Intermediate Similarity NPC249425
0.812 Intermediate Similarity NPC92164
0.812 Intermediate Similarity NPC42300
0.812 Intermediate Similarity NPC241522
0.812 Intermediate Similarity NPC257582
0.812 Intermediate Similarity NPC187998
0.812 Intermediate Similarity NPC153739
0.812 Intermediate Similarity NPC64201
0.812 Intermediate Similarity NPC242807
0.812 Intermediate Similarity NPC145305
0.812 Intermediate Similarity NPC77040
0.8116 Intermediate Similarity NPC12668
0.8116 Intermediate Similarity NPC308768
0.8115 Intermediate Similarity NPC151537
0.8115 Intermediate Similarity NPC469912
0.8115 Intermediate Similarity NPC54373
0.8106 Intermediate Similarity NPC129570
0.8106 Intermediate Similarity NPC23012
0.8106 Intermediate Similarity NPC282703
0.8106 Intermediate Similarity NPC45774
0.8106 Intermediate Similarity NPC184733
0.8106 Intermediate Similarity NPC11258
0.8106 Intermediate Similarity NPC128208
0.8106 Intermediate Similarity NPC21867
0.8102 Intermediate Similarity NPC266006
0.8102 Intermediate Similarity NPC242715
0.8102 Intermediate Similarity NPC477938
0.8102 Intermediate Similarity NPC56329
0.8102 Intermediate Similarity NPC22902
0.8099 Intermediate Similarity NPC153182

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC470726 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
0.8516 High Similarity NPD6917 Clinical (unspecified phase)
0.8321 Intermediate Similarity NPD5698 Clinical (unspecified phase)
0.8258 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.8254 Intermediate Similarity NPD4626 Approved
0.8217 Intermediate Similarity NPD6696 Suspended
0.814 Intermediate Similarity NPD3600 Clinical (unspecified phase)
0.814 Intermediate Similarity NPD4749 Approved
0.8045 Intermediate Similarity NPD4625 Phase 3
0.8031 Intermediate Similarity NPD5691 Approved
0.803 Intermediate Similarity NPD2861 Phase 2
0.8 Intermediate Similarity NPD4060 Phase 1
0.8 Intermediate Similarity NPD3620 Phase 2
0.8 Intermediate Similarity NPD3619 Clinical (unspecified phase)
0.7941 Intermediate Similarity NPD5735 Approved
0.7939 Intermediate Similarity NPD8651 Approved
0.7937 Intermediate Similarity NPD7340 Approved
0.7929 Intermediate Similarity NPD6674 Discontinued
0.791 Intermediate Similarity NPD3027 Phase 3
0.7868 Intermediate Similarity NPD2238 Phase 2
0.784 Intermediate Similarity NPD1398 Phase 1
0.7786 Intermediate Similarity NPD5762 Approved
0.7786 Intermediate Similarity NPD5763 Approved
0.7754 Intermediate Similarity NPD4097 Suspended
0.7724 Intermediate Similarity NPD2684 Approved
0.7721 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7717 Intermediate Similarity NPD6671 Approved
0.771 Intermediate Similarity NPD3092 Approved
0.7687 Intermediate Similarity NPD4624 Approved
0.7669 Intermediate Similarity NPD1283 Approved
0.7661 Intermediate Similarity NPD4750 Phase 3
0.7652 Intermediate Similarity NPD2232 Approved
0.7652 Intermediate Similarity NPD2233 Approved
0.7652 Intermediate Similarity NPD2230 Approved
0.7619 Intermediate Similarity NPD7635 Approved
0.7615 Intermediate Similarity NPD1651 Approved
0.7612 Intermediate Similarity NPD3094 Phase 2
0.7609 Intermediate Similarity NPD1613 Approved
0.7609 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7609 Intermediate Similarity NPD4140 Approved
0.7594 Intermediate Similarity NPD5327 Phase 3
0.7578 Intermediate Similarity NPD7157 Approved
0.7576 Intermediate Similarity NPD3705 Approved
0.7576 Intermediate Similarity NPD1610 Phase 2
0.7574 Intermediate Similarity NPD4908 Phase 1
0.7559 Intermediate Similarity NPD5283 Phase 1
0.754 Intermediate Similarity NPD228 Approved
0.7538 Intermediate Similarity NPD3091 Approved
0.75 Intermediate Similarity NPD6353 Approved
0.75 Intermediate Similarity NPD290 Approved
0.748 Intermediate Similarity NPD7843 Approved
0.7464 Intermediate Similarity NPD7985 Registered
0.7448 Intermediate Similarity NPD2677 Approved
0.7444 Intermediate Similarity NPD1091 Approved
0.7444 Intermediate Similarity NPD1281 Approved
0.7417 Intermediate Similarity NPD37 Approved
0.7376 Intermediate Similarity NPD2157 Approved
0.7372 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7357 Intermediate Similarity NPD2979 Phase 3
0.7343 Intermediate Similarity NPD6099 Approved
0.7343 Intermediate Similarity NPD6100 Approved
0.7333 Intermediate Similarity NPD1669 Approved
0.7333 Intermediate Similarity NPD288 Approved
0.7328 Intermediate Similarity NPD7644 Approved
0.7324 Intermediate Similarity NPD4537 Clinical (unspecified phase)
0.7324 Intermediate Similarity NPD4536 Approved
0.7324 Intermediate Similarity NPD4538 Approved
0.7319 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7313 Intermediate Similarity NPD1611 Approved
0.7305 Intermediate Similarity NPD5124 Phase 1
0.7305 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7293 Intermediate Similarity NPD5125 Phase 3
0.7293 Intermediate Similarity NPD2668 Approved
0.7293 Intermediate Similarity NPD2667 Approved
0.7293 Intermediate Similarity NPD3095 Discontinued
0.7293 Intermediate Similarity NPD1778 Approved
0.7293 Intermediate Similarity NPD5126 Approved
0.7292 Intermediate Similarity NPD2029 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD4967 Phase 2
0.7273 Intermediate Similarity NPD4965 Approved
0.7273 Intermediate Similarity NPD4966 Approved
0.7273 Intermediate Similarity NPD1548 Phase 1
0.726 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.726 Intermediate Similarity NPD4628 Phase 3
0.7259 Intermediate Similarity NPD2235 Phase 2
0.7259 Intermediate Similarity NPD2231 Phase 2
0.725 Intermediate Similarity NPD844 Approved
0.7248 Intermediate Similarity NPD5261 Clinical (unspecified phase)
0.7244 Intermediate Similarity NPD4666 Phase 3
0.7244 Intermediate Similarity NPD3022 Approved
0.7244 Intermediate Similarity NPD3021 Approved
0.7241 Intermediate Similarity NPD2424 Discontinued
0.723 Intermediate Similarity NPD7040 Clinical (unspecified phase)
0.723 Intermediate Similarity NPD7041 Phase 2
0.7222 Intermediate Similarity NPD2342 Discontinued
0.7222 Intermediate Similarity NPD2438 Suspended
0.7218 Intermediate Similarity NPD1357 Approved
0.7215 Intermediate Similarity NPD2969 Approved
0.7215 Intermediate Similarity NPD2970 Approved
0.7214 Intermediate Similarity NPD1699 Clinical (unspecified phase)
0.7213 Intermediate Similarity NPD3020 Approved
0.7183 Intermediate Similarity NPD6355 Discontinued
0.7183 Intermediate Similarity NPD3657 Discovery
0.7181 Intermediate Similarity NPD2533 Approved
0.7181 Intermediate Similarity NPD2534 Approved
0.7181 Intermediate Similarity NPD4160 Clinical (unspecified phase)
0.7181 Intermediate Similarity NPD2532 Approved
0.7179 Intermediate Similarity NPD5709 Phase 3
0.7179 Intermediate Similarity NPD6234 Discontinued
0.7176 Intermediate Similarity NPD709 Approved
0.7174 Intermediate Similarity NPD3691 Phase 2
0.7174 Intermediate Similarity NPD3690 Phase 2
0.7172 Intermediate Similarity NPD6004 Phase 3
0.7172 Intermediate Similarity NPD6006 Clinical (unspecified phase)
0.7172 Intermediate Similarity NPD6003 Clinical (unspecified phase)
0.7172 Intermediate Similarity NPD6005 Phase 3
0.7172 Intermediate Similarity NPD6002 Phase 3
0.7162 Intermediate Similarity NPD6667 Approved
0.7162 Intermediate Similarity NPD5058 Phase 3
0.7162 Intermediate Similarity NPD6666 Approved
0.7154 Intermediate Similarity NPD4869 Clinical (unspecified phase)
0.7153 Intermediate Similarity NPD5960 Phase 3
0.7153 Intermediate Similarity NPD5588 Approved
0.7143 Intermediate Similarity NPD7003 Approved
0.7143 Intermediate Similarity NPD5929 Approved
0.7143 Intermediate Similarity NPD7982 Clinical (unspecified phase)
0.7133 Intermediate Similarity NPD2676 Approved
0.7133 Intermediate Similarity NPD6090 Discontinued
0.7133 Intermediate Similarity NPD2675 Approved
0.7122 Intermediate Similarity NPD1712 Approved
0.7111 Intermediate Similarity NPD3496 Discontinued
0.7107 Intermediate Similarity NPD1809 Phase 2
0.7097 Intermediate Similarity NPD2563 Approved
0.7097 Intermediate Similarity NPD2560 Approved
0.7092 Intermediate Similarity NPD6812 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD845 Approved
0.7077 Intermediate Similarity NPD1138 Approved
0.7067 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7063 Intermediate Similarity NPD2489 Approved
0.7063 Intermediate Similarity NPD27 Approved
0.705 Intermediate Similarity NPD6584 Phase 3
0.7047 Intermediate Similarity NPD3122 Phase 3
0.7044 Intermediate Similarity NPD3051 Approved
0.704 Intermediate Similarity NPD5700 Clinical (unspecified phase)
0.7037 Intermediate Similarity NPD6516 Phase 2
0.7037 Intermediate Similarity NPD5844 Phase 1
0.7037 Intermediate Similarity NPD2932 Approved
0.7037 Intermediate Similarity NPD5846 Approved
0.7037 Intermediate Similarity NPD4059 Approved
0.7034 Intermediate Similarity NPD2156 Approved
0.7034 Intermediate Similarity NPD4108 Discontinued
0.7034 Intermediate Similarity NPD2154 Approved
0.7034 Intermediate Similarity NPD2155 Approved
0.7032 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7027 Intermediate Similarity NPD3892 Phase 2
0.7021 Intermediate Similarity NPD7095 Approved
0.7016 Intermediate Similarity NPD289 Clinical (unspecified phase)
0.7015 Intermediate Similarity NPD7741 Discontinued
0.7014 Intermediate Similarity NPD6653 Approved
0.7014 Intermediate Similarity NPD4579 Clinical (unspecified phase)
0.7008 Intermediate Similarity NPD968 Approved
0.7007 Intermediate Similarity NPD7037 Approved
0.7007 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7007 Intermediate Similarity NPD1608 Approved
0.7 Intermediate Similarity NPD1137 Approved
0.7 Intermediate Similarity NPD1139 Approved
0.7 Intermediate Similarity NPD3018 Phase 2
0.7 Intermediate Similarity NPD5736 Approved
0.7 Intermediate Similarity NPD2237 Approved
0.6993 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6986 Remote Similarity NPD4477 Approved
0.6986 Remote Similarity NPD4476 Approved
0.6986 Remote Similarity NPD2531 Phase 2
0.6986 Remote Similarity NPD2935 Discontinued
0.6981 Remote Similarity NPD6959 Discontinued
0.6977 Remote Similarity NPD5451 Approved
0.6975 Remote Similarity NPD7228 Approved
0.6972 Remote Similarity NPD1039 Discontinued
0.6972 Remote Similarity NPD6798 Discontinued
0.6967 Remote Similarity NPD2860 Approved
0.6967 Remote Similarity NPD2859 Approved
0.6966 Remote Similarity NPD7097 Phase 1
0.6963 Remote Similarity NPD3445 Approved
0.6963 Remote Similarity NPD3443 Approved
0.6963 Remote Similarity NPD3444 Approved
0.696 Remote Similarity NPD940 Approved
0.696 Remote Similarity NPD846 Approved
0.6959 Remote Similarity NPD5177 Phase 3
0.6957 Remote Similarity NPD4379 Clinical (unspecified phase)
0.6957 Remote Similarity NPD3685 Discontinued
0.6954 Remote Similarity NPD7446 Clinical (unspecified phase)
0.695 Remote Similarity NPD600 Approved
0.695 Remote Similarity NPD596 Approved
0.6948 Remote Similarity NPD4380 Phase 2
0.6947 Remote Similarity NPD821 Approved
0.6937 Remote Similarity NPD6232 Discontinued
0.6934 Remote Similarity NPD422 Phase 1
0.6918 Remote Similarity NPD7033 Discontinued
0.6917 Remote Similarity NPD6387 Discontinued
0.6914 Remote Similarity NPD7473 Discontinued
0.6913 Remote Similarity NPD6331 Phase 2

Structure

External Identifiers

PubChem CID   71461418
ChEMBL   CHEMBL2206802
ZINC  

Physicochemical Properties

Molecular Weight:  262.16
ALogP:  0.6189
MLogP:  2.89
XLogP:  2.996
# Rotatable Bonds:  9
Polar Surface Area:  49.69
# H-Bond Aceptor:  2
# H-Bond Donor:  2
# Rings:  2
# Heavy Atoms:  19

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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