Natural Product: NPC174700

Natural Product ID:  NPC174700
Common Name:   2-[4,5-Dimethoxy-2-(3-Phenyl-Trans-Allyloxy)Benzyl]-5-Hydroxy-6-Methoxy-3-Phenylbenzofuran
IUPAC Name:   2-[[4,5-dimethoxy-2-[(E)-3-phenylprop-2-enoxy]phenyl]methyl]-6-methoxy-3-phenyl-1-benzofuran-5-ol
Synonyms:  
Molecular Formula:   C33H30O6
Standard InCHIKey:  LFTCBGSFKCHMJG-JLHYYAGUSA-N
Standard InCHI:  InChI=1S/C33H30O6/c1-35-29-21-28-25(19-26(29)34)33(23-14-8-5-9-15-23)32(39-28)18-24-17-30(36-2)31(37-3)20-27(24)38-16-10-13-22-11-6-4-7-12-22/h4-15,17,19-21,34H,16,18H2,1-3H3/b13-10+
Canonical SMILES:  COc1cc(OC/C=C/c2ccccc2)c(cc1OC)Cc1oc2c(c1c1ccccc1)cc(c(c2)OC)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
NPO29428 Dalbergia cochinchinensis Species Fabaceae Eukaryota PMID[12932142]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Inhibition = 18.1 % 11000039
NPT2 Others Unspecified Inhibition = 15.9 % 11000039
NPT2 Others Unspecified Inhibition = 11.5 % 19344127

  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 NPC174700 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
0.9693 High Similarity NPC473834
0.9563 High Similarity NPC312056
0.9563 High Similarity NPC84515
0.9515 High Similarity NPC287243
0.95 High Similarity NPC188486
0.9455 High Similarity NPC216842
0.9455 High Similarity NPC82217
0.9455 High Similarity NPC476640
0.9455 High Similarity NPC310794
0.9448 High Similarity NPC247973
0.9448 High Similarity NPC50394
0.9394 High Similarity NPC54098
0.9394 High Similarity NPC230619
0.9387 High Similarity NPC277480
0.9383 High Similarity NPC133065
0.9375 High Similarity NPC16935
0.9375 High Similarity NPC196879
0.9341 High Similarity NPC8127
0.9341 High Similarity NPC49667
0.9333 High Similarity NPC476641
0.9329 High Similarity NPC470704
0.9325 High Similarity NPC45449
0.9325 High Similarity NPC36320
0.9325 High Similarity NPC39306
0.9325 High Similarity NPC37183
0.9317 High Similarity NPC188967
0.9286 High Similarity NPC475783
0.9277 High Similarity NPC28589
0.9277 High Similarity NPC248593
0.9264 High Similarity NPC1755
0.9264 High Similarity NPC39305
0.9264 High Similarity NPC59295
0.9264 High Similarity NPC1706
0.9264 High Similarity NPC263092
0.9255 High Similarity NPC154304
0.9255 High Similarity NPC190487
0.925 High Similarity NPC45131
0.9222 High Similarity NPC149846
0.9222 High Similarity NPC65885
0.9217 High Similarity NPC131866
0.9207 High Similarity NPC291110
0.9202 High Similarity NPC272722
0.9202 High Similarity NPC238995
0.9193 High Similarity NPC185526
0.9186 High Similarity NPC47905
0.9186 High Similarity NPC73929
0.9186 High Similarity NPC139683
0.9181 High Similarity NPC154527
0.9176 High Similarity NPC47883
0.9172 High Similarity NPC297807
0.9146 High Similarity NPC272064
0.913 High Similarity NPC472916
0.9128 High Similarity NPC226725
0.9128 High Similarity NPC304322
0.9118 High Similarity NPC185275
0.9118 High Similarity NPC324742
0.9096 High Similarity NPC14662
0.9096 High Similarity NPC243877
0.9091 High Similarity NPC477840
0.9085 High Similarity NPC81679
0.9074 High Similarity NPC472911
0.9074 High Similarity NPC162869
0.9074 High Similarity NPC48208
0.9074 High Similarity NPC210084
0.9074 High Similarity NPC474208
0.9074 High Similarity NPC472914
0.9074 High Similarity NPC99597
0.9074 High Similarity NPC245758
0.9074 High Similarity NPC222814
0.9074 High Similarity NPC474836
0.9074 High Similarity NPC96167
0.9074 High Similarity NPC299520
0.9074 High Similarity NPC475267
0.9074 High Similarity NPC469584
0.9074 High Similarity NPC472913
0.9074 High Similarity NPC129684
0.9074 High Similarity NPC472910
0.9074 High Similarity NPC156057
0.9074 High Similarity NPC181960
0.9068 High Similarity NPC256612
0.9068 High Similarity NPC20830
0.9068 High Similarity NPC2928
0.9068 High Similarity NPC213622
0.9062 High Similarity NPC125300
0.9059 High Similarity NPC98546
0.9059 High Similarity NPC265380
0.9053 High Similarity NPC227906
0.9042 High Similarity NPC247136
0.9036 High Similarity NPC272560
0.903 High Similarity NPC475985
0.9024 High Similarity NPC34089
0.9024 High Similarity NPC196179
0.9018 High Similarity NPC195832
0.9012 High Similarity NPC137100
0.9012 High Similarity NPC472461
0.9012 High Similarity NPC150977
0.9012 High Similarity NPC255106
0.9012 High Similarity NPC235165
0.9006 High Similarity NPC145379
0.9006 High Similarity NPC255350
0.9006 High Similarity NPC22519
0.9006 High Similarity NPC292214
0.9006 High Similarity NPC124714
0.9006 High Similarity NPC274327
0.9006 High Similarity NPC271779
0.9006 High Similarity NPC472915
0.9006 High Similarity NPC160951
0.9006 High Similarity NPC47781
0.9006 High Similarity NPC88645
0.9006 High Similarity NPC69394
0.9006 High Similarity NPC280937
0.9006 High Similarity NPC206238
0.9006 High Similarity NPC231018
0.9006 High Similarity NPC167091
0.9006 High Similarity NPC176775
0.9006 High Similarity NPC183878
0.8994 High Similarity NPC261471
0.8988 High Similarity NPC476365
0.8988 High Similarity NPC472276
0.8982 High Similarity NPC86477
0.8976 High Similarity NPC326520
0.8976 High Similarity NPC224280
0.8976 High Similarity NPC472277
0.8976 High Similarity NPC29411
0.8976 High Similarity NPC234052
0.8976 High Similarity NPC259757
0.897 High Similarity NPC472448
0.897 High Similarity NPC476247
0.897 High Similarity NPC261470
0.897 High Similarity NPC219927
0.897 High Similarity NPC477841
0.897 High Similarity NPC83922
0.8966 High Similarity NPC248315
0.8963 High Similarity NPC476980
0.8957 High Similarity NPC36852
0.8957 High Similarity NPC78225
0.8957 High Similarity NPC241904
0.8957 High Similarity NPC470402
0.8957 High Similarity NPC300727
0.8957 High Similarity NPC262286
0.8951 High Similarity NPC31018
0.8951 High Similarity NPC208197
0.8951 High Similarity NPC50715
0.8951 High Similarity NPC2476
0.8951 High Similarity NPC128863
0.8951 High Similarity NPC255807
0.8951 High Similarity NPC163780
0.8951 High Similarity NPC201136
0.8951 High Similarity NPC196439
0.8951 High Similarity NPC92659
0.8951 High Similarity NPC183597
0.8951 High Similarity NPC146165
0.8951 High Similarity NPC4455
0.8951 High Similarity NPC472909
0.8951 High Similarity NPC37392
0.8951 High Similarity NPC167815
0.8951 High Similarity NPC227325
0.8951 High Similarity NPC138360
0.8951 High Similarity NPC280339
0.8944 High Similarity NPC161277
0.8944 High Similarity NPC187498
0.8944 High Similarity NPC39007
0.8944 High Similarity NPC162313
0.8944 High Similarity NPC60972
0.8944 High Similarity NPC241498
0.8944 High Similarity NPC245382
0.8944 High Similarity NPC257648
0.8944 High Similarity NPC100971
0.8944 High Similarity NPC71334
0.8944 High Similarity NPC188203
0.8944 High Similarity NPC35763
0.8944 High Similarity NPC181209
0.8944 High Similarity NPC101996
0.8944 High Similarity NPC156222
0.8944 High Similarity NPC83508
0.8944 High Similarity NPC100263
0.8944 High Similarity NPC275836
0.8944 High Similarity NPC100887
0.8944 High Similarity NPC209487
0.8944 High Similarity NPC269451
0.8944 High Similarity NPC39732
0.8944 High Similarity NPC291802
0.8944 High Similarity NPC222830
0.8944 High Similarity NPC198826
0.8944 High Similarity NPC121522
0.8944 High Similarity NPC57030
0.8944 High Similarity NPC275722
0.8944 High Similarity NPC180234
0.8944 High Similarity NPC120163
0.8944 High Similarity NPC199100
0.8944 High Similarity NPC212678
0.8944 High Similarity NPC256283
0.8944 High Similarity NPC477231
0.8944 High Similarity NPC120537
0.8944 High Similarity NPC25270
0.8944 High Similarity NPC293183
0.8944 High Similarity NPC131266
0.8944 High Similarity NPC216769
0.8944 High Similarity NPC301323
0.8944 High Similarity NPC239128

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC174700 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
0.9006 High Similarity NPD2801 Approved
0.8896 High Similarity NPD3882 Suspended
0.8827 High Similarity NPD1934 Approved
0.875 High Similarity NPD6167 Clinical (unspecified phase)
0.875 High Similarity NPD6168 Clinical (unspecified phase)
0.875 High Similarity NPD6166 Phase 2
0.8735 High Similarity NPD5494 Approved
0.8659 High Similarity NPD2393 Clinical (unspecified phase)
0.8647 High Similarity NPD3818 Discontinued
0.8554 High Similarity NPD4868 Clinical (unspecified phase)
0.8447 Intermediate Similarity NPD1511 Approved
0.8393 Intermediate Similarity NPD3749 Approved
0.8391 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.8382 Intermediate Similarity NPD5844 Phase 1
0.8363 Intermediate Similarity NPD3926 Phase 2
0.8353 Intermediate Similarity NPD1247 Approved
0.8344 Intermediate Similarity NPD1512 Approved
0.8333 Intermediate Similarity NPD7074 Phase 3
0.8304 Intermediate Similarity NPD6232 Discontinued
0.8295 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.8276 Intermediate Similarity NPD7054 Approved
0.8274 Intermediate Similarity NPD3817 Phase 2
0.8266 Intermediate Similarity NPD7473 Discontinued
0.8246 Intermediate Similarity NPD6959 Discontinued
0.8229 Intermediate Similarity NPD7472 Approved
0.8225 Intermediate Similarity NPD7768 Phase 2
0.8222 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.8208 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.8166 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.8144 Intermediate Similarity NPD4380 Phase 2
0.8136 Intermediate Similarity NPD6559 Discontinued
0.8107 Intermediate Similarity NPD1465 Phase 2
0.809 Intermediate Similarity NPD7808 Phase 3
0.8079 Intermediate Similarity NPD6797 Phase 2
0.807 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.8061 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.8061 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.8034 Intermediate Similarity NPD7251 Discontinued
0.8025 Intermediate Similarity NPD1549 Phase 2
0.8023 Intermediate Similarity NPD919 Approved
0.8 Intermediate Similarity NPD7819 Suspended
0.7988 Intermediate Similarity NPD7411 Suspended
0.7965 Intermediate Similarity NPD7075 Discontinued
0.7963 Intermediate Similarity NPD2344 Approved
0.7963 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7963 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7953 Intermediate Similarity NPD5402 Approved
0.795 Intermediate Similarity NPD1510 Phase 2
0.7901 Intermediate Similarity NPD2796 Approved
0.7895 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7892 Intermediate Similarity NPD6799 Approved
0.7857 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7824 Intermediate Similarity NPD6599 Discontinued
0.7812 Intermediate Similarity NPD943 Approved
0.7812 Intermediate Similarity NPD1240 Approved
0.7771 Intermediate Similarity NPD2309 Approved
0.7765 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.776 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7751 Intermediate Similarity NPD920 Approved
0.7733 Intermediate Similarity NPD6801 Discontinued
0.7727 Intermediate Similarity NPD7199 Phase 2
0.7716 Intermediate Similarity NPD1607 Approved
0.7651 Intermediate Similarity NPD2800 Approved
0.7647 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.764 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7633 Intermediate Similarity NPD2533 Approved
0.7633 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7633 Intermediate Similarity NPD2534 Approved
0.7633 Intermediate Similarity NPD2532 Approved
0.7614 Intermediate Similarity NPD6234 Discontinued
0.7611 Intermediate Similarity NPD3751 Discontinued
0.7605 Intermediate Similarity NPD3750 Approved
0.7584 Intermediate Similarity NPD3787 Discontinued
0.7576 Intermediate Similarity NPD2935 Discontinued
0.7574 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7574 Intermediate Similarity NPD7390 Discontinued
0.7554 Intermediate Similarity NPD8312 Approved
0.7554 Intermediate Similarity NPD8313 Approved
0.7546 Intermediate Similarity NPD230 Phase 1
0.7545 Intermediate Similarity NPD1243 Approved
0.7545 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7544 Intermediate Similarity NPD5403 Approved
0.7529 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7527 Intermediate Similarity NPD8434 Phase 2
0.7515 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7485 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7485 Intermediate Similarity NPD1613 Approved
0.7485 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7453 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7447 Intermediate Similarity NPD4287 Approved
0.7439 Intermediate Similarity NPD447 Suspended
0.7429 Intermediate Similarity NPD37 Approved
0.7427 Intermediate Similarity NPD5401 Approved
0.7418 Intermediate Similarity NPD7228 Approved
0.741 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7407 Intermediate Similarity NPD3027 Phase 3
0.7401 Intermediate Similarity NPD4966 Approved
0.7401 Intermediate Similarity NPD4965 Approved
0.7401 Intermediate Similarity NPD4967 Phase 2
0.7396 Intermediate Similarity NPD4628 Phase 3
0.7391 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7371 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7365 Intermediate Similarity NPD1551 Phase 2
0.7356 Intermediate Similarity NPD3226 Approved
0.7353 Intermediate Similarity NPD6190 Approved
0.7351 Intermediate Similarity NPD7685 Pre-registration
0.7346 Intermediate Similarity NPD4908 Phase 1
0.7337 Intermediate Similarity NPD8151 Discontinued
0.7326 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7312 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7305 Intermediate Similarity NPD3748 Approved
0.7305 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7299 Intermediate Similarity NPD1653 Approved
0.7293 Intermediate Similarity NPD7229 Phase 3
0.7284 Intermediate Similarity NPD9494 Approved
0.7282 Intermediate Similarity NPD6779 Approved
0.7282 Intermediate Similarity NPD6780 Approved
0.7282 Intermediate Similarity NPD6778 Approved
0.7282 Intermediate Similarity NPD6776 Approved
0.7282 Intermediate Similarity NPD6777 Approved
0.7282 Intermediate Similarity NPD6781 Approved
0.7282 Intermediate Similarity NPD6782 Approved
0.7256 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7256 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7247 Intermediate Similarity NPD2296 Approved
0.7222 Intermediate Similarity NPD7871 Phase 2
0.7222 Intermediate Similarity NPD7870 Phase 2
0.7219 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7216 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7204 Intermediate Similarity NPD5953 Discontinued
0.7202 Intermediate Similarity NPD2799 Discontinued
0.7193 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7191 Intermediate Similarity NPD8455 Phase 2
0.7189 Intermediate Similarity NPD7286 Phase 2
0.7178 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7178 Intermediate Similarity NPD7783 Phase 2
0.7172 Intermediate Similarity NPD7697 Approved
0.7172 Intermediate Similarity NPD7696 Phase 3
0.7172 Intermediate Similarity NPD7435 Discontinued
0.7172 Intermediate Similarity NPD7698 Approved
0.716 Intermediate Similarity NPD6099 Approved
0.716 Intermediate Similarity NPD6100 Approved
0.716 Intermediate Similarity NPD5405 Approved
0.716 Intermediate Similarity NPD5406 Approved
0.716 Intermediate Similarity NPD5408 Approved
0.716 Intermediate Similarity NPD5404 Approved
0.7158 Intermediate Similarity NPD8150 Discontinued
0.7158 Intermediate Similarity NPD5242 Approved
0.7143 Intermediate Similarity NPD8127 Discontinued
0.7143 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7135 Intermediate Similarity NPD6279 Approved
0.7135 Intermediate Similarity NPD6280 Approved
0.7135 Intermediate Similarity NPD7893 Clinical (unspecified phase)
0.7128 Intermediate Similarity NPD7549 Discontinued
0.7126 Intermediate Similarity NPD1933 Approved
0.7118 Intermediate Similarity NPD2346 Discontinued
0.7115 Intermediate Similarity NPD7907 Approved
0.7114 Intermediate Similarity NPD7701 Phase 2
0.7104 Intermediate Similarity NPD5710 Approved
0.7104 Intermediate Similarity NPD5711 Approved
0.7095 Intermediate Similarity NPD5760 Phase 2
0.7095 Intermediate Similarity NPD5761 Phase 2
0.7062 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7062 Intermediate Similarity NPD7458 Discontinued
0.7048 Intermediate Similarity NPD2313 Discontinued
0.7048 Intermediate Similarity NPD3764 Approved
0.7044 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7044 Intermediate Similarity NPD7874 Approved
0.7043 Intermediate Similarity NPD2163 Approved
0.7043 Intermediate Similarity NPD7177 Discontinued
0.7039 Intermediate Similarity NPD6844 Discontinued
0.7035 Intermediate Similarity NPD6823 Phase 2
0.7027 Intermediate Similarity NPD2403 Approved
0.7027 Intermediate Similarity NPD4575 Clinical (unspecified phase)
0.7026 Intermediate Similarity NPD6534 Approved
0.7026 Intermediate Similarity NPD6535 Approved
0.7019 Intermediate Similarity NPD4665 Approved
0.7019 Intermediate Similarity NPD4111 Phase 1
0.7018 Intermediate Similarity NPD1471 Phase 3
0.7011 Intermediate Similarity NPD6808 Phase 2
0.701 Intermediate Similarity NPD7801 Approved
0.7006 Intermediate Similarity NPD6233 Phase 2
0.7005 Intermediate Similarity NPD7699 Phase 2
0.7005 Intermediate Similarity NPD7700 Phase 2
0.6994 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6994 Remote Similarity NPD8166 Discontinued
0.6984 Remote Similarity NPD7240 Approved
0.6982 Remote Similarity NPD6651 Approved
0.697 Remote Similarity NPD2861 Phase 2
0.6951 Remote Similarity NPD1203 Approved
0.6946 Remote Similarity NPD6798 Discontinued
0.6939 Remote Similarity NPD4363 Phase 3
0.6939 Remote Similarity NPD4360 Phase 2
0.6928 Remote Similarity NPD6832 Phase 2
0.6923 Remote Similarity NPD1899 Clinical (unspecified phase)
0.6915 Remote Similarity NPD7680 Approved
0.6914 Remote Similarity NPD1547 Clinical (unspecified phase)
0.6914 Remote Similarity NPD1610 Phase 2
0.6909 Remote Similarity NPD2798 Approved
0.6904 Remote Similarity NPD4362 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   10029721
ChEMBL   CHEMBL510604
ZINC  

Physicochemical Properties

Molecular Weight:  522.20
ALogP:  -0.1233
MLogP:  4.43
XLogP:  9.729
# Rotatable Bonds:  14
Polar Surface Area:  70.29
# H-Bond Aceptor:  0
# H-Bond Donor:  1
# Rings:  5
# Heavy Atoms:  39

Download Data

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Biological Activities  
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