Natural Product: NPC473834

Natural Product ID:  NPC473834
Common Name:   2-[4,5-Dimethoxy-5-(3-Phenyl-Trans-Allyl)Cyclohexa-3,6-Dien-2-On-1-Ylmethyl]-5-Hydroxy-6-Methoxy-3-Phenylbenzofuran
IUPAC Name:   2-[(5-hydroxy-6-methoxy-3-phenyl-1-benzofuran-2-yl)methyl]-4,5-dimethoxy-4-[(E)-3-phenylprop-2-enyl]cyclohexa-2,5-dien-1-one
Synonyms:  
Molecular Formula:   C33H30O6
Standard InCHIKey:  TZBPQIOKLWLNNI-JLHYYAGUSA-N
Standard InCHI:  InChI=1S/C33H30O6/c1-36-29-20-28-25(18-27(29)35)32(23-14-8-5-9-15-23)30(39-28)17-24-21-33(38-3,31(37-2)19-26(24)34)16-10-13-22-11-6-4-7-12-22/h4-15,18-21,35H,16-17H2,1-3H3/b13-10+
Canonical SMILES:  COC1=CC(=O)C(=CC1(OC)C/C=C/c1ccccc1)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 = 3.8 % 18955524
NPT2 Others Unspecified Inhibition = 17 % 18955524
NPT2 Others Unspecified Inhibition = 0.6 % 9514009

  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 NPC473834 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 NPC174700
0.9503 High Similarity NPC312056
0.9503 High Similarity NPC84515
0.9441 High Similarity NPC188486
0.9398 High Similarity NPC216842
0.9398 High Similarity NPC476640
0.9398 High Similarity NPC82217
0.9398 High Similarity NPC310794
0.939 High Similarity NPC50394
0.9341 High Similarity NPC287243
0.9337 High Similarity NPC54098
0.9337 High Similarity NPC230619
0.9325 High Similarity NPC133065
0.9317 High Similarity NPC16935
0.9317 High Similarity NPC196879
0.9286 High Similarity NPC8127
0.9286 High Similarity NPC49667
0.9277 High Similarity NPC476641
0.9273 High Similarity NPC470704
0.9273 High Similarity NPC247973
0.9268 High Similarity NPC36320
0.9268 High Similarity NPC39306
0.9268 High Similarity NPC45449
0.9212 High Similarity NPC277480
0.9207 High Similarity NPC1706
0.9207 High Similarity NPC59295
0.9207 High Similarity NPC39305
0.9207 High Similarity NPC263092
0.9207 High Similarity NPC1755
0.9193 High Similarity NPC45131
0.9167 High Similarity NPC65885
0.9152 High Similarity NPC291110
0.9152 High Similarity NPC37183
0.9146 High Similarity NPC238995
0.9146 High Similarity NPC272722
0.9141 High Similarity NPC188967
0.9123 High Similarity NPC47883
0.9118 High Similarity NPC297807
0.9112 High Similarity NPC227906
0.9107 High Similarity NPC248593
0.9107 High Similarity NPC28589
0.908 High Similarity NPC154304
0.908 High Similarity NPC190487
0.9059 High Similarity NPC164384
0.9053 High Similarity NPC149846
0.9053 High Similarity NPC261471
0.9048 High Similarity NPC131866
0.9042 High Similarity NPC86477
0.9036 High Similarity NPC29411
0.903 High Similarity NPC83922
0.903 High Similarity NPC472448
0.9024 High Similarity NPC476980
0.9023 High Similarity NPC73929
0.9023 High Similarity NPC47905
0.9023 High Similarity NPC139683
0.9018 High Similarity NPC185526
0.9017 High Similarity NPC154527
0.9012 High Similarity NPC256612
0.9012 High Similarity NPC20830
0.9006 High Similarity NPC475783
0.9006 High Similarity NPC98546
0.9006 High Similarity NPC125300
0.8988 High Similarity NPC202470
0.8988 High Similarity NPC247136
0.8976 High Similarity NPC272064
0.8976 High Similarity NPC475985
0.897 High Similarity NPC29876
0.897 High Similarity NPC167678
0.897 High Similarity NPC259456
0.8966 High Similarity NPC304322
0.8966 High Similarity NPC226725
0.8963 High Similarity NPC195832
0.8963 High Similarity NPC476242
0.8957 High Similarity NPC472916
0.8957 High Similarity NPC472461
0.8951 High Similarity NPC274327
0.8951 High Similarity NPC292214
0.8951 High Similarity NPC145379
0.8951 High Similarity NPC88645
0.8951 High Similarity NPC255350
0.8951 High Similarity NPC22519
0.8951 High Similarity NPC160951
0.8951 High Similarity NPC271779
0.8951 High Similarity NPC47781
0.8951 High Similarity NPC176775
0.8951 High Similarity NPC231018
0.8951 High Similarity NPC206238
0.8951 High Similarity NPC183878
0.8951 High Similarity NPC69394
0.8951 High Similarity NPC167091
0.8941 High Similarity NPC37606
0.8935 High Similarity NPC218533
0.8935 High Similarity NPC472276
0.8935 High Similarity NPC78830
0.8929 High Similarity NPC243877
0.8929 High Similarity NPC14662
0.8922 High Similarity NPC275780
0.8922 High Similarity NPC239752
0.8922 High Similarity NPC224280
0.8922 High Similarity NPC472450
0.8922 High Similarity NPC234052
0.8922 High Similarity NPC26386
0.8916 High Similarity NPC81679
0.8916 High Similarity NPC261470
0.8914 High Similarity NPC248315
0.8909 High Similarity NPC200746
0.8909 High Similarity NPC204290
0.8909 High Similarity NPC139036
0.8908 High Similarity NPC476170
0.8902 High Similarity NPC99597
0.8902 High Similarity NPC210084
0.8902 High Similarity NPC472911
0.8902 High Similarity NPC475267
0.8902 High Similarity NPC474208
0.8902 High Similarity NPC472914
0.8902 High Similarity NPC96167
0.8902 High Similarity NPC299520
0.8902 High Similarity NPC245758
0.8902 High Similarity NPC300727
0.8902 High Similarity NPC262286
0.8902 High Similarity NPC78225
0.8902 High Similarity NPC469584
0.8902 High Similarity NPC472910
0.8902 High Similarity NPC156057
0.8902 High Similarity NPC36852
0.8902 High Similarity NPC97523
0.8902 High Similarity NPC472913
0.8902 High Similarity NPC48208
0.8902 High Similarity NPC476981
0.8902 High Similarity NPC181960
0.8902 High Similarity NPC162869
0.8902 High Similarity NPC222814
0.8902 High Similarity NPC241904
0.8902 High Similarity NPC129684
0.8902 High Similarity NPC474836
0.8896 High Similarity NPC50715
0.8896 High Similarity NPC201136
0.8896 High Similarity NPC2928
0.8896 High Similarity NPC92659
0.8896 High Similarity NPC196439
0.8896 High Similarity NPC227325
0.8896 High Similarity NPC2476
0.8896 High Similarity NPC128863
0.8896 High Similarity NPC213622
0.8896 High Similarity NPC167815
0.8896 High Similarity NPC146165
0.8896 High Similarity NPC138360
0.8896 High Similarity NPC280339
0.8896 High Similarity NPC183597
0.8896 High Similarity NPC163780
0.8896 High Similarity NPC208197
0.8896 High Similarity NPC4455
0.8889 High Similarity NPC222830
0.8889 High Similarity NPC198826
0.8889 High Similarity NPC120537
0.8889 High Similarity NPC180234
0.8889 High Similarity NPC199100
0.8889 High Similarity NPC25270
0.8889 High Similarity NPC162313
0.8889 High Similarity NPC187498
0.8889 High Similarity NPC275836
0.8889 High Similarity NPC39007
0.8889 High Similarity NPC275722
0.8889 High Similarity NPC241498
0.8889 High Similarity NPC71334
0.8889 High Similarity NPC101996
0.8889 High Similarity NPC156222
0.8889 High Similarity NPC120163
0.8889 High Similarity NPC289244
0.8889 High Similarity NPC60972
0.8889 High Similarity NPC188203
0.8889 High Similarity NPC57030
0.8889 High Similarity NPC131624
0.8889 High Similarity NPC83508
0.8889 High Similarity NPC301323
0.8889 High Similarity NPC39732
0.8889 High Similarity NPC293183
0.8889 High Similarity NPC239128
0.8889 High Similarity NPC161277
0.8889 High Similarity NPC100887
0.8889 High Similarity NPC212678
0.8889 High Similarity NPC256283
0.8876 High Similarity NPC152477
0.8876 High Similarity NPC288813
0.8869 High Similarity NPC39091
0.8869 High Similarity NPC173292
0.8869 High Similarity NPC170245
0.8869 High Similarity NPC235610
0.8869 High Similarity NPC272560
0.8862 High Similarity NPC159508
0.8862 High Similarity NPC152659
0.8862 High Similarity NPC306321
0.8862 High Similarity NPC248638
0.8862 High Similarity NPC124038
0.8862 High Similarity NPC23298
0.8862 High Similarity NPC303460
0.8862 High Similarity NPC189473
0.8862 High Similarity NPC236521
0.8862 High Similarity NPC89131
0.8855 High Similarity NPC196179

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC473834 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
0.8951 High Similarity NPD2801 Approved
0.8727 High Similarity NPD3882 Suspended
0.8659 High Similarity NPD1934 Approved
0.8588 High Similarity NPD6166 Phase 2
0.8588 High Similarity NPD6167 Clinical (unspecified phase)
0.8588 High Similarity NPD6168 Clinical (unspecified phase)
0.8571 High Similarity NPD5494 Approved
0.8494 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.8488 Intermediate Similarity NPD3818 Discontinued
0.8452 Intermediate Similarity NPD3749 Approved
0.8421 Intermediate Similarity NPD3926 Phase 2
0.8395 Intermediate Similarity NPD1511 Approved
0.8393 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.8363 Intermediate Similarity NPD6232 Discontinued
0.8324 Intermediate Similarity NPD7473 Discontinued
0.8293 Intermediate Similarity NPD1512 Approved
0.8229 Intermediate Similarity NPD5844 Phase 1
0.8198 Intermediate Similarity NPD1247 Approved
0.8182 Intermediate Similarity NPD7074 Phase 3
0.8146 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.8136 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.8125 Intermediate Similarity NPD7054 Approved
0.8121 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.8118 Intermediate Similarity NPD3817 Phase 2
0.8079 Intermediate Similarity NPD7472 Approved
0.8077 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.8059 Intermediate Similarity NPD1465 Phase 2
0.8025 Intermediate Similarity NPD2344 Approved
0.8012 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.8012 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7989 Intermediate Similarity NPD6559 Discontinued
0.7989 Intermediate Similarity NPD6959 Discontinued
0.7988 Intermediate Similarity NPD4380 Phase 2
0.7965 Intermediate Similarity NPD7768 Phase 2
0.7955 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7944 Intermediate Similarity NPD7808 Phase 3
0.7933 Intermediate Similarity NPD6797 Phase 2
0.7919 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7889 Intermediate Similarity NPD7251 Discontinued
0.7874 Intermediate Similarity NPD919 Approved
0.7866 Intermediate Similarity NPD1549 Phase 2
0.7849 Intermediate Similarity NPD7819 Suspended
0.7836 Intermediate Similarity NPD7411 Suspended
0.7831 Intermediate Similarity NPD2309 Approved
0.7816 Intermediate Similarity NPD7075 Discontinued
0.7811 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7805 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7805 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7803 Intermediate Similarity NPD5402 Approved
0.7791 Intermediate Similarity NPD1510 Phase 2
0.7765 Intermediate Similarity NPD3751 Discontinued
0.7764 Intermediate Similarity NPD1240 Approved
0.7764 Intermediate Similarity NPD943 Approved
0.7746 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7744 Intermediate Similarity NPD2796 Approved
0.7738 Intermediate Similarity NPD6799 Approved
0.7717 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7711 Intermediate Similarity NPD2800 Approved
0.7676 Intermediate Similarity NPD8434 Phase 2
0.7674 Intermediate Similarity NPD6599 Discontinued
0.7669 Intermediate Similarity NPD1607 Approved
0.7665 Intermediate Similarity NPD3750 Approved
0.7624 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7606 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7602 Intermediate Similarity NPD920 Approved
0.7586 Intermediate Similarity NPD6801 Discontinued
0.7584 Intermediate Similarity NPD7199 Phase 2
0.753 Intermediate Similarity NPD2935 Discontinued
0.7529 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD4287 Approved
0.75 Intermediate Similarity NPD1243 Approved
0.75 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7485 Intermediate Similarity NPD2532 Approved
0.7485 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7485 Intermediate Similarity NPD2533 Approved
0.7485 Intermediate Similarity NPD2534 Approved
0.7472 Intermediate Similarity NPD6234 Discontinued
0.7444 Intermediate Similarity NPD3787 Discontinued
0.744 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7427 Intermediate Similarity NPD7390 Discontinued
0.7414 Intermediate Similarity NPD3226 Approved
0.7407 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7399 Intermediate Similarity NPD5403 Approved
0.7396 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7394 Intermediate Similarity NPD230 Phase 1
0.7394 Intermediate Similarity NPD447 Suspended
0.7368 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7365 Intermediate Similarity NPD3748 Approved
0.7365 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7365 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7346 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD1613 Approved
0.7326 Intermediate Similarity NPD8312 Approved
0.7326 Intermediate Similarity NPD8313 Approved
0.7312 Intermediate Similarity NPD7685 Pre-registration
0.731 Intermediate Similarity NPD6190 Approved
0.7303 Intermediate Similarity NPD2296 Approved
0.7288 Intermediate Similarity NPD37 Approved
0.7283 Intermediate Similarity NPD7228 Approved
0.7283 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7283 Intermediate Similarity NPD5401 Approved
0.7263 Intermediate Similarity NPD4965 Approved
0.7263 Intermediate Similarity NPD4966 Approved
0.7263 Intermediate Similarity NPD4967 Phase 2
0.7256 Intermediate Similarity NPD3027 Phase 3
0.7251 Intermediate Similarity NPD4628 Phase 3
0.7245 Intermediate Similarity NPD6779 Approved
0.7245 Intermediate Similarity NPD6776 Approved
0.7245 Intermediate Similarity NPD6782 Approved
0.7245 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7245 Intermediate Similarity NPD6780 Approved
0.7245 Intermediate Similarity NPD6778 Approved
0.7245 Intermediate Similarity NPD6777 Approved
0.7245 Intermediate Similarity NPD6781 Approved
0.7219 Intermediate Similarity NPD1551 Phase 2
0.7219 Intermediate Similarity NPD6100 Approved
0.7219 Intermediate Similarity NPD6099 Approved
0.7214 Intermediate Similarity NPD8151 Discontinued
0.7211 Intermediate Similarity NPD8150 Discontinued
0.7195 Intermediate Similarity NPD4908 Phase 1
0.7186 Intermediate Similarity NPD7871 Phase 2
0.7186 Intermediate Similarity NPD7870 Phase 2
0.7184 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7181 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7176 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7174 Intermediate Similarity NPD2403 Approved
0.7166 Intermediate Similarity NPD5953 Discontinued
0.7163 Intermediate Similarity NPD7907 Approved
0.716 Intermediate Similarity NPD2799 Discontinued
0.7159 Intermediate Similarity NPD1653 Approved
0.7158 Intermediate Similarity NPD7229 Phase 3
0.7151 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7151 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD7783 Phase 2
0.7143 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7136 Intermediate Similarity NPD7435 Discontinued
0.7136 Intermediate Similarity NPD7696 Phase 3
0.7136 Intermediate Similarity NPD7698 Approved
0.7136 Intermediate Similarity NPD7697 Approved
0.7134 Intermediate Similarity NPD9494 Approved
0.7108 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7108 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7108 Intermediate Similarity NPD3764 Approved
0.7099 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7097 Intermediate Similarity NPD7893 Clinical (unspecified phase)
0.7095 Intermediate Similarity NPD6280 Approved
0.7095 Intermediate Similarity NPD6279 Approved
0.7092 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.709 Intermediate Similarity NPD7549 Discontinued
0.7083 Intermediate Similarity NPD1933 Approved
0.7079 Intermediate Similarity NPD7701 Phase 2
0.7076 Intermediate Similarity NPD1471 Phase 3
0.7076 Intermediate Similarity NPD2346 Discontinued
0.7067 Intermediate Similarity NPD4111 Phase 1
0.7067 Intermediate Similarity NPD4665 Approved
0.7059 Intermediate Similarity NPD7286 Phase 2
0.7056 Intermediate Similarity NPD5761 Phase 2
0.7056 Intermediate Similarity NPD5760 Phase 2
0.7041 Intermediate Similarity NPD6651 Approved
0.7027 Intermediate Similarity NPD5242 Approved
0.7018 Intermediate Similarity NPD5404 Approved
0.7018 Intermediate Similarity NPD5406 Approved
0.7018 Intermediate Similarity NPD5405 Approved
0.7018 Intermediate Similarity NPD5408 Approved
0.701 Intermediate Similarity NPD7874 Approved
0.701 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7006 Intermediate Similarity NPD2313 Discontinued
0.699 Remote Similarity NPD6534 Approved
0.699 Remote Similarity NPD6535 Approved
0.6976 Remote Similarity NPD7801 Approved
0.6973 Remote Similarity NPD6808 Phase 2
0.6973 Remote Similarity NPD5710 Approved
0.6973 Remote Similarity NPD5711 Approved
0.697 Remote Similarity NPD7699 Phase 2
0.697 Remote Similarity NPD7700 Phase 2
0.6961 Remote Similarity NPD8455 Phase 2
0.6927 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6919 Remote Similarity NPD8127 Discontinued
0.6915 Remote Similarity NPD2163 Approved
0.6915 Remote Similarity NPD6823 Phase 2
0.6909 Remote Similarity NPD1203 Approved
0.6909 Remote Similarity NPD1470 Approved
0.6906 Remote Similarity NPD6844 Discontinued
0.6898 Remote Similarity NPD4575 Clinical (unspecified phase)
0.6867 Remote Similarity NPD2798 Approved
0.6866 Remote Similarity NPD2493 Approved
0.6866 Remote Similarity NPD2494 Approved
0.6864 Remote Similarity NPD6233 Phase 2
0.686 Remote Similarity NPD7033 Discontinued
0.6859 Remote Similarity NPD7240 Approved
0.6857 Remote Similarity NPD8166 Discontinued
0.6845 Remote Similarity NPD4625 Phase 3
0.6836 Remote Similarity NPD4357 Discontinued
0.6833 Remote Similarity NPD7458 Discontinued
0.6831 Remote Similarity NPD4288 Approved
0.6829 Remote Similarity NPD9269 Phase 2
0.6826 Remote Similarity NPD2861 Phase 2
0.6825 Remote Similarity NPD7177 Discontinued
0.6818 Remote Similarity NPD4360 Phase 2

Structure

External Identifiers

PubChem CID   10052458
ChEMBL   CHEMBL453028
ZINC  

Physicochemical Properties

Molecular Weight:  522.20
ALogP:  -0.2806
MLogP:  4.43
XLogP:  8.757
# Rotatable Bonds:  13
Polar Surface Area:  78.13
# H-Bond Aceptor:  3
# H-Bond Donor:  1
# Rings:  5
# Heavy Atoms:  39

Download Data

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Biological Activities  
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