Natural Product: NPC475840

Natural Product ID:  NPC475840
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C21H26O5
Standard InCHIKey:  QFUYWQPDFLHXSV-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C21H26O5/c1-24-17-11-8-14-7-10-16(22)6-4-3-5-15-9-12-18(26-19(17)13-14)21(25-2)20(15)23/h8-9,11-13,16,22-23H,3-7,10H2,1-2H3
Canonical SMILES:  COc1ccc2cc1Oc1ccc(c(c1OC)O)CCCCC(CC2)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
NPO26892 Juglans mandshurica Species Juglandaceae Eukaryota roots PMID[12444709]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT81 Cell Line A549 Homo sapiens IC50 = 11.5 ug/ml 15217281
NPT139 Cell Line HT-29 Homo sapiens IC50 = 23.9 ug/ml 3625703

  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 NPC475840 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
0.9767 High Similarity NPC472334
0.9767 High Similarity NPC306441
0.9767 High Similarity NPC16435
0.9767 High Similarity NPC472336
0.9762 High Similarity NPC472338
0.969 High Similarity NPC112939
0.969 High Similarity NPC472337
0.969 High Similarity NPC260898
0.969 High Similarity NPC112246
0.969 High Similarity NPC474206
0.969 High Similarity NPC470356
0.969 High Similarity NPC61946
0.969 High Similarity NPC94750
0.969 High Similarity NPC234333
0.969 High Similarity NPC47398
0.969 High Similarity NPC121812
0.9685 High Similarity NPC472597
0.9683 High Similarity NPC212015
0.9615 High Similarity NPC227503
0.9615 High Similarity NPC302701
0.9615 High Similarity NPC269091
0.9615 High Similarity NPC230734
0.9615 High Similarity NPC474639
0.9612 High Similarity NPC317380
0.9609 High Similarity NPC35932
0.9609 High Similarity NPC160991
0.9609 High Similarity NPC470752
0.9609 High Similarity NPC7903
0.9609 High Similarity NPC184447
0.9609 High Similarity NPC16208
0.9603 High Similarity NPC98631
0.9603 High Similarity NPC186843
0.9603 High Similarity NPC206615
0.9603 High Similarity NPC470213
0.9542 High Similarity NPC103976
0.9542 High Similarity NPC474282
0.9542 High Similarity NPC326797
0.9542 High Similarity NPC211549
0.9542 High Similarity NPC107551
0.9542 High Similarity NPC176051
0.9542 High Similarity NPC102904
0.9538 High Similarity NPC151224
0.9538 High Similarity NPC164787
0.9535 High Similarity NPC168059
0.9535 High Similarity NPC11060
0.9535 High Similarity NPC229442
0.9535 High Similarity NPC263064
0.9531 High Similarity NPC309787
0.9528 High Similarity NPC226788
0.9528 High Similarity NPC218856
0.9528 High Similarity NPC476968
0.9528 High Similarity NPC222004
0.9528 High Similarity NPC3439
0.9528 High Similarity NPC210623
0.9528 High Similarity NPC273295
0.9528 High Similarity NPC170844
0.9528 High Similarity NPC190629
0.9528 High Similarity NPC470258
0.9528 High Similarity NPC285339
0.9528 High Similarity NPC202582
0.9524 High Similarity NPC246620
0.9524 High Similarity NPC236791
0.9524 High Similarity NPC74817
0.9524 High Similarity NPC124452
0.9524 High Similarity NPC474119
0.9524 High Similarity NPC293054
0.9524 High Similarity NPC159968
0.9524 High Similarity NPC82679
0.9524 High Similarity NPC210355
0.9524 High Similarity NPC282000
0.9524 High Similarity NPC324112
0.9524 High Similarity NPC169474
0.9474 High Similarity NPC87725
0.9474 High Similarity NPC263261
0.9474 High Similarity NPC471389
0.9466 High Similarity NPC470802
0.9466 High Similarity NPC162659
0.9466 High Similarity NPC248727
0.9466 High Similarity NPC270456
0.9466 High Similarity NPC265433
0.9462 High Similarity NPC478085
0.9462 High Similarity NPC170694
0.9462 High Similarity NPC310854
0.9457 High Similarity NPC185604
0.9457 High Similarity NPC201587
0.9457 High Similarity NPC219876
0.9457 High Similarity NPC253105
0.9457 High Similarity NPC15658
0.9457 High Similarity NPC78770
0.9457 High Similarity NPC126029
0.9457 High Similarity NPC202762
0.9457 High Similarity NPC127624
0.9457 High Similarity NPC86655
0.9457 High Similarity NPC61477
0.9457 High Similarity NPC261619
0.9453 High Similarity NPC91291
0.9444 High Similarity NPC18924
0.9444 High Similarity NPC223136
0.9444 High Similarity NPC28730
0.9444 High Similarity NPC214406
0.9444 High Similarity NPC78974
0.9444 High Similarity NPC103823
0.9444 High Similarity NPC44748
0.9398 High Similarity NPC160283
0.9398 High Similarity NPC254759
0.9398 High Similarity NPC22317
0.9398 High Similarity NPC309124
0.9398 High Similarity NPC184797
0.9394 High Similarity NPC276490
0.9389 High Similarity NPC256262
0.9389 High Similarity NPC473413
0.9389 High Similarity NPC134968
0.938 High Similarity NPC470096
0.938 High Similarity NPC469625
0.938 High Similarity NPC474017
0.938 High Similarity NPC220825
0.938 High Similarity NPC268266
0.938 High Similarity NPC30043
0.938 High Similarity NPC469613
0.938 High Similarity NPC42760
0.938 High Similarity NPC268342
0.938 High Similarity NPC470095
0.9375 High Similarity NPC469963
0.9375 High Similarity NPC469951
0.937 High Similarity NPC319625
0.937 High Similarity NPC147821
0.937 High Similarity NPC242032
0.937 High Similarity NPC163332
0.937 High Similarity NPC118787
0.937 High Similarity NPC292056
0.937 High Similarity NPC111247
0.937 High Similarity NPC41706
0.937 High Similarity NPC183181
0.937 High Similarity NPC470699
0.9365 High Similarity NPC193544
0.9365 High Similarity NPC60885
0.9365 High Similarity NPC233410
0.9365 High Similarity NPC472093
0.9365 High Similarity NPC299584
0.9365 High Similarity NPC57490
0.9365 High Similarity NPC208950
0.9365 High Similarity NPC475169
0.9365 High Similarity NPC105925
0.9365 High Similarity NPC194519
0.9365 High Similarity NPC203133
0.9365 High Similarity NPC221077
0.9365 High Similarity NPC17943
0.9365 High Similarity NPC117214
0.9365 High Similarity NPC298757
0.9365 High Similarity NPC82483
0.9365 High Similarity NPC116907
0.9365 High Similarity NPC234400
0.9365 High Similarity NPC265483
0.9365 High Similarity NPC251855
0.9333 High Similarity NPC477616
0.9328 High Similarity NPC311530
0.9323 High Similarity NPC292882
0.9323 High Similarity NPC245207
0.9323 High Similarity NPC236306
0.9323 High Similarity NPC260741
0.9323 High Similarity NPC22517
0.9323 High Similarity NPC25966
0.9323 High Similarity NPC232164
0.9323 High Similarity NPC473739
0.9323 High Similarity NPC471388
0.9323 High Similarity NPC319647
0.9323 High Similarity NPC127218
0.9323 High Similarity NPC70682
0.9318 High Similarity NPC234952
0.9313 High Similarity NPC106215
0.9313 High Similarity NPC287745
0.9302 High Similarity NPC214860
0.9302 High Similarity NPC469614
0.9302 High Similarity NPC126836
0.9302 High Similarity NPC299221
0.9302 High Similarity NPC234488
0.9302 High Similarity NPC311680
0.9302 High Similarity NPC469612
0.9302 High Similarity NPC51840
0.9297 High Similarity NPC154866
0.9297 High Similarity NPC28765
0.9291 High Similarity NPC178284
0.9291 High Similarity NPC58607
0.9291 High Similarity NPC181361
0.9291 High Similarity NPC191037
0.9286 High Similarity NPC228972
0.9286 High Similarity NPC48990
0.9286 High Similarity NPC293701
0.9286 High Similarity NPC114901
0.9286 High Similarity NPC122792
0.9259 High Similarity NPC107161
0.9254 High Similarity NPC266197
0.9254 High Similarity NPC291101
0.9248 High Similarity NPC477938
0.9248 High Similarity NPC474390
0.9242 High Similarity NPC195022
0.9237 High Similarity NPC36661
0.9237 High Similarity NPC158331
0.9225 High Similarity NPC45824
0.9225 High Similarity NPC5851

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC475840 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
0.9528 High Similarity NPD3027 Phase 3
0.9457 High Similarity NPD1612 Clinical (unspecified phase)
0.9457 High Similarity NPD1613 Approved
0.9147 High Similarity NPD1529 Clinical (unspecified phase)
0.907 High Similarity NPD1530 Clinical (unspecified phase)
0.8571 High Similarity NPD4908 Phase 1
0.8462 Intermediate Similarity NPD1610 Phase 2
0.8444 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.8438 Intermediate Similarity NPD1548 Phase 1
0.8435 Intermediate Similarity NPD1934 Approved
0.8358 Intermediate Similarity NPD3018 Phase 2
0.8255 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.8195 Intermediate Similarity NPD2983 Phase 2
0.8195 Intermediate Similarity NPD2982 Phase 2
0.8175 Intermediate Similarity NPD228 Approved
0.8163 Intermediate Similarity NPD1653 Approved
0.8146 Intermediate Similarity NPD3882 Suspended
0.8133 Intermediate Similarity NPD2801 Approved
0.8129 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.8129 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.8129 Intermediate Similarity NPD6166 Phase 2
0.812 Intermediate Similarity NPD2981 Phase 2
0.8102 Intermediate Similarity NPD4625 Phase 3
0.8088 Intermediate Similarity NPD2861 Phase 2
0.806 Intermediate Similarity NPD4749 Approved
0.8047 Intermediate Similarity NPD5283 Phase 1
0.8043 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.8026 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7937 Intermediate Similarity NPD2684 Approved
0.7929 Intermediate Similarity NPD1558 Phase 1
0.7929 Intermediate Similarity NPD4060 Phase 1
0.7926 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7925 Intermediate Similarity NPD7074 Phase 3
0.7914 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7911 Intermediate Similarity NPD3818 Discontinued
0.791 Intermediate Similarity NPD1091 Approved
0.7891 Intermediate Similarity NPD1511 Approved
0.7862 Intermediate Similarity NPD5698 Clinical (unspecified phase)
0.7862 Intermediate Similarity NPD7054 Approved
0.7857 Intermediate Similarity NPD290 Approved
0.7829 Intermediate Similarity NPD7843 Approved
0.7821 Intermediate Similarity NPD7199 Phase 2
0.7812 Intermediate Similarity NPD7472 Approved
0.7806 Intermediate Similarity NPD6234 Discontinued
0.7801 Intermediate Similarity NPD3620 Phase 2
0.7801 Intermediate Similarity NPD3619 Clinical (unspecified phase)
0.7786 Intermediate Similarity NPD7157 Approved
0.7785 Intermediate Similarity NPD1512 Approved
0.7778 Intermediate Similarity NPD422 Phase 1
0.7754 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.774 Intermediate Similarity NPD6674 Discontinued
0.7737 Intermediate Similarity NPD8651 Approved
0.7734 Intermediate Similarity NPD3022 Approved
0.7734 Intermediate Similarity NPD3021 Approved
0.7727 Intermediate Similarity NPD3817 Phase 2
0.7724 Intermediate Similarity NPD3540 Phase 1
0.7712 Intermediate Similarity NPD37 Approved
0.7697 Intermediate Similarity NPD4678 Approved
0.7697 Intermediate Similarity NPD4675 Approved
0.7677 Intermediate Similarity NPD4967 Phase 2
0.7677 Intermediate Similarity NPD4966 Approved
0.7677 Intermediate Similarity NPD4965 Approved
0.7655 Intermediate Similarity NPD3539 Phase 1
0.7654 Intermediate Similarity NPD6797 Phase 2
0.7652 Intermediate Similarity NPD6671 Approved
0.7651 Intermediate Similarity NPD7213 Phase 3
0.7651 Intermediate Similarity NPD7212 Phase 2
0.764 Intermediate Similarity NPD5844 Phase 1
0.7639 Intermediate Similarity NPD4538 Approved
0.7639 Intermediate Similarity NPD4537 Clinical (unspecified phase)
0.7639 Intermediate Similarity NPD4536 Approved
0.7635 Intermediate Similarity NPD5307 Clinical (unspecified phase)
0.7628 Intermediate Similarity NPD7975 Clinical (unspecified phase)
0.7622 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7622 Intermediate Similarity NPD5124 Phase 1
0.7619 Intermediate Similarity NPD3060 Approved
0.7619 Intermediate Similarity NPD1652 Phase 2
0.7613 Intermediate Similarity NPD6374 Clinical (unspecified phase)
0.761 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7607 Intermediate Similarity NPD7251 Discontinued
0.7603 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7603 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7603 Intermediate Similarity NPD7266 Discontinued
0.76 Intermediate Similarity NPD7447 Phase 1
0.7582 Intermediate Similarity NPD4380 Phase 2
0.7578 Intermediate Similarity NPD7228 Approved
0.7568 Intermediate Similarity NPD3892 Phase 2
0.7561 Intermediate Similarity NPD7808 Phase 3
0.7561 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7556 Intermediate Similarity NPD1357 Approved
0.7551 Intermediate Similarity NPD1549 Phase 2
0.7546 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7536 Intermediate Similarity NPD3600 Clinical (unspecified phase)
0.7535 Intermediate Similarity NPD6798 Discontinued
0.7518 Intermediate Similarity NPD3705 Approved
0.7517 Intermediate Similarity NPD2677 Approved
0.7516 Intermediate Similarity NPD6055 Clinical (unspecified phase)
0.7516 Intermediate Similarity NPD7075 Discontinued
0.7516 Intermediate Similarity NPD4005 Discontinued
0.7516 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD5177 Phase 3
0.75 Intermediate Similarity NPD5846 Approved
0.75 Intermediate Similarity NPD6355 Discontinued
0.75 Intermediate Similarity NPD4237 Approved
0.75 Intermediate Similarity NPD6516 Phase 2
0.75 Intermediate Similarity NPD6584 Phase 3
0.75 Intermediate Similarity NPD4236 Phase 3
0.75 Intermediate Similarity NPD4162 Approved
0.7483 Intermediate Similarity NPD5763 Approved
0.7483 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7483 Intermediate Similarity NPD5762 Approved
0.7483 Intermediate Similarity NPD2029 Clinical (unspecified phase)
0.7466 Intermediate Similarity NPD5588 Approved
0.7466 Intermediate Similarity NPD5960 Phase 3
0.746 Intermediate Similarity NPD940 Approved
0.746 Intermediate Similarity NPD291 Approved
0.746 Intermediate Similarity NPD846 Approved
0.745 Intermediate Similarity NPD4628 Phase 3
0.7436 Intermediate Similarity NPD1465 Phase 2
0.7436 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7434 Intermediate Similarity NPD1940 Clinical (unspecified phase)
0.7421 Intermediate Similarity NPD5494 Approved
0.7417 Intermediate Similarity NPD4357 Discontinued
0.7417 Intermediate Similarity NPD6799 Approved
0.7415 Intermediate Similarity NPD6100 Approved
0.7415 Intermediate Similarity NPD2796 Approved
0.7415 Intermediate Similarity NPD6099 Approved
0.7407 Intermediate Similarity NPD5536 Phase 2
0.7394 Intermediate Similarity NPD5752 Clinical (unspecified phase)
0.7389 Intermediate Similarity NPD2563 Approved
0.7389 Intermediate Similarity NPD2560 Approved
0.7381 Intermediate Similarity NPD1242 Phase 1
0.7379 Intermediate Similarity NPD5735 Approved
0.7372 Intermediate Similarity NPD6801 Discontinued
0.7368 Intermediate Similarity NPD4123 Phase 3
0.7365 Intermediate Similarity NPD8054 Approved
0.7365 Intermediate Similarity NPD8053 Approved
0.7364 Intermediate Similarity NPD968 Approved
0.7351 Intermediate Similarity NPD7124 Phase 2
0.7351 Intermediate Similarity NPD5058 Phase 3
0.7347 Intermediate Similarity NPD7033 Discontinued
0.7347 Intermediate Similarity NPD6028 Clinical (unspecified phase)
0.7347 Intermediate Similarity NPD1510 Phase 2
0.7347 Intermediate Similarity NPD6029 Clinical (unspecified phase)
0.7343 Intermediate Similarity NPD7095 Approved
0.7333 Intermediate Similarity NPD6331 Phase 2
0.7333 Intermediate Similarity NPD3750 Approved
0.7333 Intermediate Similarity NPD4110 Phase 3
0.7333 Intermediate Similarity NPD4109 Clinical (unspecified phase)
0.7329 Intermediate Similarity NPD6232 Discontinued
0.7328 Intermediate Similarity NPD4750 Phase 3
0.732 Intermediate Similarity NPD5261 Clinical (unspecified phase)
0.7315 Intermediate Similarity NPD2424 Discontinued
0.731 Intermediate Similarity NPD2238 Phase 2
0.731 Intermediate Similarity NPD1240 Approved
0.7303 Intermediate Similarity NPD1774 Approved
0.7303 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7289 Intermediate Similarity NPD6559 Discontinued
0.7286 Intermediate Similarity NPD6583 Phase 3
0.7286 Intermediate Similarity NPD6582 Phase 2
0.7285 Intermediate Similarity NPD6190 Approved
0.7278 Intermediate Similarity NPD5402 Approved
0.7278 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD5403 Approved
0.726 Intermediate Similarity NPD230 Phase 1
0.7255 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7248 Intermediate Similarity NPD1375 Discontinued
0.7246 Intermediate Similarity NPD7549 Discontinued
0.7244 Intermediate Similarity NPD6599 Discontinued
0.7241 Intermediate Similarity NPD2674 Phase 3
0.7241 Intermediate Similarity NPD6233 Phase 2
0.7241 Intermediate Similarity NPD1726 Clinical (unspecified phase)
0.7239 Intermediate Similarity NPD2489 Approved
0.7239 Intermediate Similarity NPD27 Approved
0.7226 Intermediate Similarity NPD3686 Approved
0.7226 Intermediate Similarity NPD3687 Approved
0.7219 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7215 Intermediate Similarity NPD2978 Approved
0.7215 Intermediate Similarity NPD2977 Approved
0.7215 Intermediate Similarity NPD7819 Suspended
0.7214 Intermediate Similarity NPD2235 Phase 2
0.7214 Intermediate Similarity NPD2231 Phase 2
0.7212 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7211 Intermediate Similarity NPD1607 Approved
0.7197 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7197 Intermediate Similarity NPD6072 Discontinued
0.7195 Intermediate Similarity NPD7473 Discontinued
0.7194 Intermediate Similarity NPD3496 Discontinued
0.7192 Intermediate Similarity NPD943 Approved
0.7192 Intermediate Similarity NPD5837 Clinical (unspecified phase)
0.7188 Intermediate Similarity NPD4055 Discovery
0.7181 Intermediate Similarity NPD1551 Phase 2
0.7181 Intermediate Similarity NPD6032 Approved
0.7181 Intermediate Similarity NPD2161 Phase 2
0.7178 Intermediate Similarity NPD2969 Approved
0.7178 Intermediate Similarity NPD2970 Approved
0.7171 Intermediate Similarity NPD2219 Phase 1
0.7164 Intermediate Similarity NPD5535 Approved
0.7162 Intermediate Similarity NPD6111 Discontinued
0.7161 Intermediate Similarity NPD6980 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   44567146
ChEMBL   CHEMBL517176
ZINC  

Physicochemical Properties

Molecular Weight:  358.18
ALogP:  -2.2559
MLogP:  3.22
XLogP:  3.688
# Rotatable Bonds:  6
Polar Surface Area:  68.15
# H-Bond Aceptor:  1
# H-Bond Donor:  2
# Rings:  2
# Heavy Atoms:  26

Download Data

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