Natural Product: NPC471985

Natural Product ID:  NPC471985
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C25H24O6
Standard InCHIKey:  LJVOUFXVBIKXNV-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C25H24O6/c1-13(2)5-6-16-17(26)11-18(27)22-19(28)12-21(30-24(16)22)15-9-14-7-8-25(3,4)31-23(14)20(29)10-15/h5,7-12,26-27,29H,6H2,1-4H3
Canonical SMILES:  CC(=CCc1c(O)cc(c2c1oc(cc2=O)c1cc(O)c2c(c1)C=CC(O2)(C)C)O)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
NPO23024 Epimedium koreanum Species Berberidaceae Eukaryota Aerial parts Herbal garden of Chungbuk National University, Cheongju, Korea 2012-OCT PMID[24963714]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT113 Cell Line RAW264.7 Mus musculus IC50 > 50000 nM 9213587
NPT113 Cell Line RAW264.7 Mus musculus IC50 > 50000 nM 23327668

  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 NPC471985 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
0.9865 High Similarity NPC170492
0.9737 High Similarity NPC259456
0.9735 High Similarity NPC74178
0.9735 High Similarity NPC184755
0.9733 High Similarity NPC276444
0.9673 High Similarity NPC78332
0.9671 High Similarity NPC118256
0.9671 High Similarity NPC204290
0.9671 High Similarity NPC119209
0.9671 High Similarity NPC192686
0.9669 High Similarity NPC218313
0.9669 High Similarity NPC476630
0.9669 High Similarity NPC237418
0.9669 High Similarity NPC218871
0.9669 High Similarity NPC474681
0.9667 High Similarity NPC234255
0.9667 High Similarity NPC472280
0.9664 High Similarity NPC471982
0.9664 High Similarity NPC237994
0.9662 High Similarity NPC3825
0.9662 High Similarity NPC88804
0.9608 High Similarity NPC167678
0.9608 High Similarity NPC29876
0.9608 High Similarity NPC474038
0.9605 High Similarity NPC204879
0.9603 High Similarity NPC133970
0.9603 High Similarity NPC472455
0.9603 High Similarity NPC282307
0.9603 High Similarity NPC170026
0.9603 High Similarity NPC5322
0.9603 High Similarity NPC6633
0.9597 High Similarity NPC154345
0.9545 High Similarity NPC472448
0.9545 High Similarity NPC474150
0.9545 High Similarity NPC83922
0.9545 High Similarity NPC474162
0.9545 High Similarity NPC261470
0.9542 High Similarity NPC475784
0.9542 High Similarity NPC471973
0.9542 High Similarity NPC476980
0.9539 High Similarity NPC27337
0.9539 High Similarity NPC473272
0.9539 High Similarity NPC52889
0.9539 High Similarity NPC284820
0.9536 High Similarity NPC200246
0.9533 High Similarity NPC157784
0.9533 High Similarity NPC63187
0.9533 High Similarity NPC37684
0.9484 High Similarity NPC189473
0.9484 High Similarity NPC23298
0.9484 High Similarity NPC472625
0.9484 High Similarity NPC186686
0.9481 High Similarity NPC471210
0.9481 High Similarity NPC26326
0.9481 High Similarity NPC198829
0.9481 High Similarity NPC234644
0.9481 High Similarity NPC472632
0.9477 High Similarity NPC280680
0.9474 High Similarity NPC278778
0.9474 High Similarity NPC195796
0.9474 High Similarity NPC470600
0.9474 High Similarity NPC191146
0.9474 High Similarity NPC291878
0.9474 High Similarity NPC35038
0.9474 High Similarity NPC68093
0.947 High Similarity NPC49402
0.947 High Similarity NPC33051
0.947 High Similarity NPC273462
0.947 High Similarity NPC227337
0.947 High Similarity NPC70433
0.9467 High Similarity NPC304295
0.9467 High Similarity NPC205046
0.9467 High Similarity NPC59162
0.9463 High Similarity NPC183950
0.9463 High Similarity NPC52005
0.9463 High Similarity NPC48479
0.9463 High Similarity NPC177298
0.9463 High Similarity NPC137062
0.9463 High Similarity NPC223579
0.9463 High Similarity NPC287101
0.9423 High Similarity NPC130920
0.9423 High Similarity NPC303174
0.9423 High Similarity NPC85057
0.9423 High Similarity NPC239752
0.9423 High Similarity NPC50960
0.9423 High Similarity NPC472450
0.9423 High Similarity NPC275780
0.9419 High Similarity NPC194427
0.9419 High Similarity NPC474033
0.9419 High Similarity NPC474034
0.9416 High Similarity NPC188433
0.9416 High Similarity NPC28241
0.9416 High Similarity NPC328102
0.9416 High Similarity NPC472624
0.9416 High Similarity NPC174953
0.9416 High Similarity NPC476280
0.9412 High Similarity NPC78225
0.9412 High Similarity NPC474055
0.9412 High Similarity NPC136674
0.9412 High Similarity NPC291508
0.9412 High Similarity NPC471209
0.9412 High Similarity NPC476981
0.9412 High Similarity NPC472598
0.9412 High Similarity NPC78071
0.9408 High Similarity NPC45849
0.9408 High Similarity NPC200761
0.9408 High Similarity NPC168247
0.9408 High Similarity NPC256925
0.9408 High Similarity NPC470327
0.9408 High Similarity NPC57674
0.9408 High Similarity NPC133392
0.9408 High Similarity NPC152951
0.9408 High Similarity NPC477503
0.9408 High Similarity NPC117992
0.9408 High Similarity NPC230149
0.9404 High Similarity NPC60972
0.9404 High Similarity NPC249570
0.9404 High Similarity NPC39732
0.9396 High Similarity NPC195202
0.9396 High Similarity NPC120464
0.9367 High Similarity NPC165456
0.9367 High Similarity NPC476637
0.9363 High Similarity NPC37870
0.9363 High Similarity NPC472449
0.9363 High Similarity NPC43319
0.9363 High Similarity NPC39091
0.9359 High Similarity NPC303460
0.9359 High Similarity NPC306321
0.9355 High Similarity NPC258331
0.9355 High Similarity NPC471212
0.9355 High Similarity NPC472634
0.9355 High Similarity NPC57715
0.9355 High Similarity NPC40037
0.9355 High Similarity NPC471211
0.9355 High Similarity NPC134783
0.9351 High Similarity NPC53545
0.9351 High Similarity NPC46736
0.9351 High Similarity NPC197856
0.9351 High Similarity NPC187792
0.9351 High Similarity NPC473990
0.9351 High Similarity NPC469658
0.9351 High Similarity NPC117418
0.9346 High Similarity NPC470328
0.9346 High Similarity NPC472626
0.9346 High Similarity NPC3980
0.9346 High Similarity NPC138243
0.9346 High Similarity NPC209614
0.9342 High Similarity NPC78326
0.9342 High Similarity NPC176775
0.9342 High Similarity NPC476631
0.9342 High Similarity NPC74924
0.9342 High Similarity NPC47781
0.9342 High Similarity NPC22519
0.9342 High Similarity NPC18727
0.9342 High Similarity NPC69394
0.9342 High Similarity NPC145379
0.9342 High Similarity NPC213896
0.9342 High Similarity NPC274327
0.9342 High Similarity NPC160951
0.9342 High Similarity NPC192083
0.9342 High Similarity NPC255350
0.9342 High Similarity NPC183878
0.9342 High Similarity NPC231018
0.9342 High Similarity NPC236223
0.9342 High Similarity NPC270620
0.9342 High Similarity NPC179126
0.9338 High Similarity NPC125062
0.9338 High Similarity NPC54394
0.9338 High Similarity NPC256406
0.9338 High Similarity NPC252933
0.9338 High Similarity NPC200740
0.9329 High Similarity NPC12200
0.9329 High Similarity NPC108406
0.9329 High Similarity NPC62536
0.9329 High Similarity NPC33265
0.9308 High Similarity NPC101107
0.9304 High Similarity NPC218226
0.9299 High Similarity NPC62261
0.9299 High Similarity NPC470773
0.9299 High Similarity NPC156432
0.9299 High Similarity NPC293319
0.9295 High Similarity NPC329760
0.9295 High Similarity NPC476247
0.9295 High Similarity NPC472635
0.9295 High Similarity NPC206605
0.9295 High Similarity NPC25152
0.9295 High Similarity NPC229632
0.9295 High Similarity NPC8300
0.929 High Similarity NPC474960
0.929 High Similarity NPC282009
0.929 High Similarity NPC36217
0.929 High Similarity NPC287328
0.929 High Similarity NPC472631
0.929 High Similarity NPC139036
0.929 High Similarity NPC297212
0.929 High Similarity NPC246478
0.929 High Similarity NPC472630
0.9286 High Similarity NPC187745
0.9286 High Similarity NPC273843
0.9286 High Similarity NPC223787

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC471985 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
0.9342 High Similarity NPD2393 Clinical (unspecified phase)
0.9342 High Similarity NPD2801 Approved
0.9276 High Similarity NPD1934 Approved
0.9257 High Similarity NPD1511 Approved
0.9133 High Similarity NPD1512 Approved
0.894 High Similarity NPD4378 Clinical (unspecified phase)
0.8938 High Similarity NPD6166 Phase 2
0.8938 High Similarity NPD6167 Clinical (unspecified phase)
0.8938 High Similarity NPD6168 Clinical (unspecified phase)
0.8854 High Similarity NPD3882 Suspended
0.8816 High Similarity NPD7410 Clinical (unspecified phase)
0.879 High Similarity NPD3817 Phase 2
0.8774 High Similarity NPD4380 Phase 2
0.8773 High Similarity NPD7054 Approved
0.872 High Similarity NPD7472 Approved
0.872 High Similarity NPD7074 Phase 3
0.8712 High Similarity NPD3818 Discontinued
0.8571 High Similarity NPD5494 Approved
0.8554 High Similarity NPD6797 Phase 2
0.8503 High Similarity NPD7251 Discontinued
0.85 High Similarity NPD4868 Clinical (unspecified phase)
0.8466 Intermediate Similarity NPD6232 Discontinued
0.8452 Intermediate Similarity NPD7808 Phase 3
0.8452 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.8447 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.8447 Intermediate Similarity NPD7075 Discontinued
0.8424 Intermediate Similarity NPD7473 Discontinued
0.8375 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.8355 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.8355 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.8344 Intermediate Similarity NPD1510 Phase 2
0.8323 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.8323 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.8313 Intermediate Similarity NPD6801 Discontinued
0.8301 Intermediate Similarity NPD1549 Phase 2
0.8289 Intermediate Similarity NPD2796 Approved
0.8261 Intermediate Similarity NPD1465 Phase 2
0.8261 Intermediate Similarity NPD7819 Suspended
0.825 Intermediate Similarity NPD7411 Suspended
0.8214 Intermediate Similarity NPD5844 Phase 1
0.82 Intermediate Similarity NPD943 Approved
0.82 Intermediate Similarity NPD1240 Approved
0.8182 Intermediate Similarity NPD6959 Discontinued
0.8153 Intermediate Similarity NPD6799 Approved
0.8098 Intermediate Similarity NPD5402 Approved
0.8092 Intermediate Similarity NPD1607 Approved
0.8077 Intermediate Similarity NPD3750 Approved
0.8072 Intermediate Similarity NPD1247 Approved
0.8061 Intermediate Similarity NPD919 Approved
0.8054 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.8013 Intermediate Similarity NPD2800 Approved
0.8012 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.8 Intermediate Similarity NPD5403 Approved
0.7987 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7965 Intermediate Similarity NPD6559 Discontinued
0.7963 Intermediate Similarity NPD6599 Discontinued
0.7949 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7939 Intermediate Similarity NPD7768 Phase 2
0.7935 Intermediate Similarity NPD2935 Discontinued
0.7929 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7892 Intermediate Similarity NPD3749 Approved
0.7875 Intermediate Similarity NPD5401 Approved
0.787 Intermediate Similarity NPD3926 Phase 2
0.7843 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7843 Intermediate Similarity NPD1613 Approved
0.7792 Intermediate Similarity NPD447 Suspended
0.7785 Intermediate Similarity NPD1243 Approved
0.7785 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7778 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7764 Intermediate Similarity NPD2534 Approved
0.7764 Intermediate Similarity NPD2532 Approved
0.7764 Intermediate Similarity NPD2533 Approved
0.7763 Intermediate Similarity NPD3027 Phase 3
0.7756 Intermediate Similarity NPD3748 Approved
0.7712 Intermediate Similarity NPD2313 Discontinued
0.7707 Intermediate Similarity NPD6100 Approved
0.7707 Intermediate Similarity NPD6099 Approved
0.7702 Intermediate Similarity NPD7390 Discontinued
0.7683 Intermediate Similarity NPD3226 Approved
0.7677 Intermediate Similarity NPD230 Phase 1
0.7669 Intermediate Similarity NPD920 Approved
0.7654 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7643 Intermediate Similarity NPD2799 Discontinued
0.7643 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7643 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7628 Intermediate Similarity NPD6651 Approved
0.7614 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7597 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7595 Intermediate Similarity NPD1551 Phase 2
0.7593 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7568 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7547 Intermediate Similarity NPD2346 Discontinued
0.7547 Intermediate Similarity NPD2344 Approved
0.7546 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7544 Intermediate Similarity NPD7199 Phase 2
0.7531 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7529 Intermediate Similarity NPD6234 Discontinued
0.7516 Intermediate Similarity NPD4628 Phase 3
0.7516 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD5953 Discontinued
0.7486 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7486 Intermediate Similarity NPD7286 Phase 2
0.7484 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7483 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7473 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7457 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7452 Intermediate Similarity NPD1933 Approved
0.7429 Intermediate Similarity NPD3751 Discontinued
0.7419 Intermediate Similarity NPD4625 Phase 3
0.741 Intermediate Similarity NPD1653 Approved
0.7407 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7405 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7403 Intermediate Similarity NPD9494 Approved
0.7399 Intermediate Similarity NPD3787 Discontinued
0.7391 Intermediate Similarity NPD4360 Phase 2
0.7391 Intermediate Similarity NPD4363 Phase 3
0.7386 Intermediate Similarity NPD1203 Approved
0.7372 Intermediate Similarity NPD3268 Approved
0.7362 Intermediate Similarity NPD6190 Approved
0.7362 Intermediate Similarity NPD2309 Approved
0.736 Intermediate Similarity NPD7685 Pre-registration
0.7355 Intermediate Similarity NPD4908 Phase 1
0.7342 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7342 Intermediate Similarity NPD5124 Phase 1
0.7338 Intermediate Similarity NPD2798 Approved
0.7337 Intermediate Similarity NPD37 Approved
0.7333 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.733 Intermediate Similarity NPD7584 Approved
0.733 Intermediate Similarity NPD7228 Approved
0.732 Intermediate Similarity NPD3225 Approved
0.7312 Intermediate Similarity NPD4308 Phase 3
0.7312 Intermediate Similarity NPD7033 Discontinued
0.731 Intermediate Similarity NPD4966 Approved
0.731 Intermediate Similarity NPD4967 Phase 2
0.731 Intermediate Similarity NPD4965 Approved
0.7278 Intermediate Similarity NPD8312 Approved
0.7278 Intermediate Similarity NPD8313 Approved
0.7273 Intermediate Similarity NPD2797 Approved
0.7237 Intermediate Similarity NPD422 Phase 1
0.72 Intermediate Similarity NPD5710 Approved
0.72 Intermediate Similarity NPD5711 Approved
0.72 Intermediate Similarity NPD1548 Phase 1
0.7196 Intermediate Similarity NPD6778 Approved
0.7196 Intermediate Similarity NPD6779 Approved
0.7196 Intermediate Similarity NPD6776 Approved
0.7196 Intermediate Similarity NPD6777 Approved
0.7196 Intermediate Similarity NPD6782 Approved
0.7196 Intermediate Similarity NPD6780 Approved
0.7196 Intermediate Similarity NPD6781 Approved
0.719 Intermediate Similarity NPD9717 Approved
0.719 Intermediate Similarity NPD9269 Phase 2
0.719 Intermediate Similarity NPD1608 Approved
0.7166 Intermediate Similarity NPD4362 Clinical (unspecified phase)
0.7166 Intermediate Similarity NPD4361 Phase 2
0.716 Intermediate Similarity NPD7458 Discontinued
0.716 Intermediate Similarity NPD5405 Approved
0.716 Intermediate Similarity NPD5406 Approved
0.716 Intermediate Similarity NPD5408 Approved
0.716 Intermediate Similarity NPD5404 Approved
0.7159 Intermediate Similarity NPD5242 Approved
0.7158 Intermediate Similarity NPD8150 Discontinued
0.7158 Intermediate Similarity NPD8434 Phase 2
0.7151 Intermediate Similarity NPD4288 Approved
0.7143 Intermediate Similarity NPD4749 Approved
0.7134 Intermediate Similarity NPD6832 Phase 2
0.7126 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7125 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7124 Intermediate Similarity NPD1201 Approved
0.7124 Intermediate Similarity NPD1610 Phase 2
0.7124 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7119 Intermediate Similarity NPD2403 Approved
0.7102 Intermediate Similarity NPD7229 Phase 3
0.7083 Intermediate Similarity NPD5049 Phase 3
0.7083 Intermediate Similarity NPD7435 Discontinued
0.7077 Intermediate Similarity NPD8151 Discontinued
0.7076 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7073 Intermediate Similarity NPD2424 Discontinued
0.707 Intermediate Similarity NPD3018 Phase 2
0.7063 Intermediate Similarity NPD4307 Phase 2
0.7063 Intermediate Similarity NPD4060 Phase 1
0.7059 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7051 Intermediate Similarity NPD3267 Approved
0.7051 Intermediate Similarity NPD1470 Approved
0.7051 Intermediate Similarity NPD3266 Approved
0.7048 Intermediate Similarity NPD2354 Approved
0.7044 Intermediate Similarity NPD6798 Discontinued
0.7044 Intermediate Similarity NPD411 Approved
0.7035 Intermediate Similarity NPD6844 Discontinued
0.7033 Intermediate Similarity NPD7549 Discontinued
0.703 Intermediate Similarity NPD2654 Approved
0.7022 Intermediate Similarity NPD7784 Clinical (unspecified phase)
0.702 Intermediate Similarity NPD5536 Phase 2
0.7018 Intermediate Similarity NPD6585 Discontinued
0.7006 Intermediate Similarity NPD3300 Phase 2
0.7005 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7005 Intermediate Similarity NPD7783 Phase 2
0.6995 Remote Similarity NPD7697 Approved
0.6995 Remote Similarity NPD7696 Phase 3
0.6995 Remote Similarity NPD7698 Approved
0.6994 Remote Similarity NPD8455 Phase 2

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3314710
ZINC  

Physicochemical Properties

Molecular Weight:  420.16
ALogP:  0.9007
MLogP:  3.55
XLogP:  3.474
# Rotatable Bonds:  10
Polar Surface Area:  96.22
# H-Bond Aceptor:  1
# H-Bond Donor:  3
# Rings:  4
# Heavy Atoms:  31

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs