Natural Product: NPC477924

Natural Product ID:  NPC477924
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C20H34O4
Standard InCHIKey:  MXHRQWXLVXRIMG-CYDYWJOTSA-N
Standard InCHI:  InChI=1S/C20H34O4/c1-18(17(24)11-21)8-6-14-13(10-18)4-5-15-19(14,2)9-7-16(23)20(15,3)12-22/h10,14-17,21-24H,4-9,11-12H2,1-3H3/t14-,15+,16-,17?,18+,19+,20+/m1/s1
Canonical SMILES:  OCC([C@@]1(C)CC[C@@H]2C(=C1)CC[C@H]1[C@@]2(C)CC[C@H]([C@@]1(C)CO)O)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
NPO30031 Siegesbeckia pubescens Species Asteraceae Eukaryota aerial part PMID[24997688]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Inhibition = 17.76 % 24997688
NPT2 Others Unspecified IC50 > 10 ug/ml 24997688
NPT2 Others Unspecified Inhibition = -0.74 % 24997688

  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 NPC477924 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
0.9718 High Similarity NPC66566
0.9718 High Similarity NPC477923
0.9583 High Similarity NPC274079
0.9583 High Similarity NPC477925
0.9306 High Similarity NPC243342
0.9306 High Similarity NPC477138
0.9306 High Similarity NPC91858
0.9178 High Similarity NPC291503
0.9103 High Similarity NPC238992
0.9091 High Similarity NPC47763
0.9091 High Similarity NPC30166
0.9079 High Similarity NPC287749
0.9041 High Similarity NPC471797
0.9028 High Similarity NPC242001
0.8974 High Similarity NPC159168
0.8974 High Similarity NPC253402
0.8961 High Similarity NPC474531
0.8947 High Similarity NPC53744
0.8933 High Similarity NPC471798
0.8933 High Similarity NPC130136
0.8904 High Similarity NPC471799
0.8904 High Similarity NPC182717
0.8889 High Similarity NPC145498
0.8875 High Similarity NPC237344
0.8861 High Similarity NPC185568
0.8831 High Similarity NPC236112
0.8816 High Similarity NPC470396
0.8816 High Similarity NPC253807
0.8816 High Similarity NPC83351
0.8816 High Similarity NPC167891
0.8816 High Similarity NPC158662
0.8816 High Similarity NPC22955
0.8816 High Similarity NPC196753
0.8816 High Similarity NPC230295
0.8816 High Similarity NPC98386
0.8816 High Similarity NPC474989
0.8816 High Similarity NPC99168
0.8784 High Similarity NPC100334
0.8767 High Similarity NPC167706
0.8734 High Similarity NPC237795
0.8734 High Similarity NPC82538
0.8701 High Similarity NPC328714
0.8701 High Similarity NPC291379
0.8684 High Similarity NPC90979
0.8684 High Similarity NPC40394
0.8684 High Similarity NPC157996
0.8684 High Similarity NPC472805
0.8684 High Similarity NPC101475
0.8684 High Similarity NPC34177
0.8684 High Similarity NPC91594
0.863 High Similarity NPC92801
0.8611 High Similarity NPC208999
0.8608 High Similarity NPC101462
0.859 High Similarity NPC96362
0.859 High Similarity NPC13554
0.8571 High Similarity NPC300499
0.8571 High Similarity NPC275910
0.8571 High Similarity NPC476314
0.8553 High Similarity NPC240604
0.8553 High Similarity NPC265328
0.8553 High Similarity NPC106364
0.8553 High Similarity NPC120098
0.8553 High Similarity NPC265588
0.8553 High Similarity NPC189883
0.8553 High Similarity NPC290598
0.8553 High Similarity NPC106432
0.8553 High Similarity NPC30590
0.8553 High Similarity NPC107059
0.8553 High Similarity NPC27765
0.8553 High Similarity NPC122418
0.8553 High Similarity NPC321381
0.8553 High Similarity NPC300324
0.8553 High Similarity NPC321016
0.8537 High Similarity NPC470620
0.8514 High Similarity NPC110799
0.8514 High Similarity NPC242992
0.85 High Similarity NPC207013
0.85 High Similarity NPC474634
0.85 High Similarity NPC317458
0.8481 Intermediate Similarity NPC242350
0.8481 Intermediate Similarity NPC470383
0.8481 Intermediate Similarity NPC249423
0.8481 Intermediate Similarity NPC476646
0.8481 Intermediate Similarity NPC142163
0.8462 Intermediate Similarity NPC1319
0.8462 Intermediate Similarity NPC472463
0.8442 Intermediate Similarity NPC198968
0.8442 Intermediate Similarity NPC470758
0.8442 Intermediate Similarity NPC318495
0.8442 Intermediate Similarity NPC214570
0.8442 Intermediate Similarity NPC470711
0.8442 Intermediate Similarity NPC155986
0.8434 Intermediate Similarity NPC67872
0.8421 Intermediate Similarity NPC34700
0.8421 Intermediate Similarity NPC134847
0.8421 Intermediate Similarity NPC22105
0.8421 Intermediate Similarity NPC136188
0.8421 Intermediate Similarity NPC257347
0.8421 Intermediate Similarity NPC471723
0.8421 Intermediate Similarity NPC28657
0.8421 Intermediate Similarity NPC141071
0.8421 Intermediate Similarity NPC138374
0.8421 Intermediate Similarity NPC230301
0.8421 Intermediate Similarity NPC285893
0.8421 Intermediate Similarity NPC304309
0.8421 Intermediate Similarity NPC162742
0.8421 Intermediate Similarity NPC288035
0.8415 Intermediate Similarity NPC6391
0.8415 Intermediate Similarity NPC477604
0.8415 Intermediate Similarity NPC94462
0.8415 Intermediate Similarity NPC125399
0.84 Intermediate Similarity NPC68443
0.8395 Intermediate Similarity NPC319238
0.8395 Intermediate Similarity NPC205845
0.8395 Intermediate Similarity NPC124172
0.8375 Intermediate Similarity NPC248886
0.8375 Intermediate Similarity NPC212083
0.8354 Intermediate Similarity NPC322313
0.8354 Intermediate Similarity NPC236237
0.8354 Intermediate Similarity NPC295131
0.8354 Intermediate Similarity NPC22403
0.8354 Intermediate Similarity NPC102253
0.8353 Intermediate Similarity NPC41554
0.8353 Intermediate Similarity NPC97404
0.8333 Intermediate Similarity NPC87604
0.8333 Intermediate Similarity NPC138621
0.8333 Intermediate Similarity NPC474216
0.8333 Intermediate Similarity NPC105495
0.8333 Intermediate Similarity NPC148977
0.8333 Intermediate Similarity NPC244385
0.8333 Intermediate Similarity NPC187785
0.8333 Intermediate Similarity NPC259875
0.8333 Intermediate Similarity NPC285761
0.8333 Intermediate Similarity NPC470361
0.8333 Intermediate Similarity NPC72507
0.8333 Intermediate Similarity NPC6978
0.8333 Intermediate Similarity NPC477522
0.8333 Intermediate Similarity NPC473943
0.8333 Intermediate Similarity NPC167037
0.8313 Intermediate Similarity NPC477926
0.8313 Intermediate Similarity NPC189777
0.8312 Intermediate Similarity NPC237460
0.8312 Intermediate Similarity NPC129165
0.8312 Intermediate Similarity NPC96319
0.8312 Intermediate Similarity NPC202642
0.8312 Intermediate Similarity NPC73875
0.8312 Intermediate Similarity NPC470749
0.8312 Intermediate Similarity NPC253190
0.8312 Intermediate Similarity NPC134330
0.8312 Intermediate Similarity NPC46160
0.8312 Intermediate Similarity NPC113733
0.831 Intermediate Similarity NPC290367
0.831 Intermediate Similarity NPC225415
0.831 Intermediate Similarity NPC144650
0.8293 Intermediate Similarity NPC266511
0.8293 Intermediate Similarity NPC290731
0.8289 Intermediate Similarity NPC476366
0.8289 Intermediate Similarity NPC469593
0.8289 Intermediate Similarity NPC306727
0.8289 Intermediate Similarity NPC469533
0.8289 Intermediate Similarity NPC201048
0.8289 Intermediate Similarity NPC469534
0.8267 Intermediate Similarity NPC164022
0.825 Intermediate Similarity NPC6707
0.825 Intermediate Similarity NPC116202
0.8235 Intermediate Similarity NPC204188
0.8235 Intermediate Similarity NPC3345
0.8235 Intermediate Similarity NPC329596
0.8235 Intermediate Similarity NPC291484
0.8235 Intermediate Similarity NPC80561
0.8235 Intermediate Similarity NPC11216
0.8228 Intermediate Similarity NPC273410
0.8228 Intermediate Similarity NPC30986
0.8228 Intermediate Similarity NPC209430
0.8228 Intermediate Similarity NPC80530
0.8228 Intermediate Similarity NPC28862
0.8228 Intermediate Similarity NPC84694
0.8228 Intermediate Similarity NPC47982
0.8228 Intermediate Similarity NPC81306
0.8228 Intermediate Similarity NPC100906
0.8228 Intermediate Similarity NPC109546
0.8228 Intermediate Similarity NPC143182
0.8219 Intermediate Similarity NPC197805
0.8214 Intermediate Similarity NPC474668
0.8214 Intermediate Similarity NPC475664
0.8205 Intermediate Similarity NPC34019
0.8193 Intermediate Similarity NPC71520
0.8193 Intermediate Similarity NPC261266
0.8193 Intermediate Similarity NPC269058
0.8193 Intermediate Similarity NPC474970
0.8193 Intermediate Similarity NPC24277
0.8182 Intermediate Similarity NPC121744
0.8182 Intermediate Similarity NPC118508
0.8182 Intermediate Similarity NPC322353
0.8171 Intermediate Similarity NPC478102
0.8171 Intermediate Similarity NPC209802
0.8161 Intermediate Similarity NPC477927
0.8161 Intermediate Similarity NPC72817
0.8158 Intermediate Similarity NPC220939
0.8158 Intermediate Similarity NPC265485

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC477924 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
0.8701 High Similarity NPD7645 Phase 2
0.8421 Intermediate Similarity NPD6942 Approved
0.8421 Intermediate Similarity NPD7339 Approved
0.8354 Intermediate Similarity NPD7525 Registered
0.8312 Intermediate Similarity NPD3701 Clinical (unspecified phase)
0.8077 Intermediate Similarity NPD6933 Approved
0.7821 Intermediate Similarity NPD6926 Approved
0.7821 Intermediate Similarity NPD6924 Approved
0.7738 Intermediate Similarity NPD4786 Approved
0.7722 Intermediate Similarity NPD8264 Approved
0.7711 Intermediate Similarity NPD3667 Approved
0.7564 Intermediate Similarity NPD7150 Approved
0.7564 Intermediate Similarity NPD7152 Approved
0.7564 Intermediate Similarity NPD7151 Approved
0.7561 Intermediate Similarity NPD6929 Approved
0.7558 Intermediate Similarity NPD3618 Phase 1
0.7532 Intermediate Similarity NPD6923 Approved
0.7532 Intermediate Similarity NPD6922 Approved
0.7528 Intermediate Similarity NPD7515 Phase 2
0.75 Intermediate Similarity NPD5328 Approved
0.7471 Intermediate Similarity NPD7524 Approved
0.747 Intermediate Similarity NPD6930 Phase 2
0.747 Intermediate Similarity NPD7509 Discontinued
0.747 Intermediate Similarity NPD6931 Approved
0.7436 Intermediate Similarity NPD7144 Approved
0.7436 Intermediate Similarity NPD7143 Approved
0.7412 Intermediate Similarity NPD6695 Phase 3
0.7375 Intermediate Similarity NPD4785 Approved
0.7375 Intermediate Similarity NPD4784 Approved
0.7342 Intermediate Similarity NPD4243 Approved
0.7333 Intermediate Similarity NPD6079 Approved
0.7326 Intermediate Similarity NPD7338 Clinical (unspecified phase)
0.7317 Intermediate Similarity NPD6932 Approved
0.7317 Intermediate Similarity NPD6925 Approved
0.7317 Intermediate Similarity NPD5776 Phase 2
0.7308 Intermediate Similarity NPD4267 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD4751 Clinical (unspecified phase)
0.7262 Intermediate Similarity NPD4748 Discontinued
0.7234 Intermediate Similarity NPD4225 Approved
0.7229 Intermediate Similarity NPD7145 Approved
0.7174 Intermediate Similarity NPD7748 Approved
0.7143 Intermediate Similarity NPD6683 Phase 2
0.7128 Intermediate Similarity NPD4755 Approved
0.7126 Intermediate Similarity NPD3665 Phase 1
0.7126 Intermediate Similarity NPD3666 Approved
0.7126 Intermediate Similarity NPD3133 Approved
0.7126 Intermediate Similarity NPD3668 Phase 3
0.7079 Intermediate Similarity NPD7750 Discontinued
0.7065 Intermediate Similarity NPD6399 Phase 3
0.7065 Intermediate Similarity NPD4202 Approved
0.7059 Intermediate Similarity NPD7514 Phase 3
0.7059 Intermediate Similarity NPD7332 Phase 2
0.7059 Intermediate Similarity NPD4695 Discontinued
0.7045 Intermediate Similarity NPD6893 Approved
0.7024 Intermediate Similarity NPD7322 Clinical (unspecified phase)
0.7021 Intermediate Similarity NPD4697 Phase 3
0.7021 Intermediate Similarity NPD5221 Approved
0.7021 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7021 Intermediate Similarity NPD5222 Approved
0.6979 Remote Similarity NPD5286 Approved
0.6979 Remote Similarity NPD4700 Approved
0.6979 Remote Similarity NPD5285 Approved
0.6979 Remote Similarity NPD4696 Approved
0.6977 Remote Similarity NPD6902 Approved
0.6977 Remote Similarity NPD6898 Phase 1
0.6957 Remote Similarity NPD6411 Approved
0.6947 Remote Similarity NPD5173 Approved
0.6947 Remote Similarity NPD7902 Approved
0.6923 Remote Similarity NPD4753 Phase 2
0.6875 Remote Similarity NPD7638 Approved
0.6867 Remote Similarity NPD4190 Phase 3
0.6867 Remote Similarity NPD5275 Approved
0.6854 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6837 Remote Similarity NPD5224 Approved
0.6837 Remote Similarity NPD5226 Approved
0.6837 Remote Similarity NPD4633 Approved
0.6837 Remote Similarity NPD5225 Approved
0.6837 Remote Similarity NPD5211 Phase 2
0.6804 Remote Similarity NPD7640 Approved
0.6804 Remote Similarity NPD7639 Approved
0.68 Remote Similarity NPD5739 Approved
0.68 Remote Similarity NPD7128 Approved
0.68 Remote Similarity NPD6402 Approved
0.68 Remote Similarity NPD6675 Approved
0.6778 Remote Similarity NPD5279 Phase 3
0.6774 Remote Similarity NPD7087 Discontinued
0.6768 Remote Similarity NPD5174 Approved
0.6768 Remote Similarity NPD5175 Approved
0.6744 Remote Similarity NPD4195 Approved
0.6739 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6739 Remote Similarity NPD6101 Approved
0.6735 Remote Similarity NPD4159 Approved
0.6735 Remote Similarity NPD5223 Approved
0.6701 Remote Similarity NPD5290 Discontinued
0.67 Remote Similarity NPD5141 Approved
0.6699 Remote Similarity NPD4634 Approved
0.6667 Remote Similarity NPD6881 Approved
0.6667 Remote Similarity NPD8259 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7320 Approved
0.6667 Remote Similarity NPD6899 Approved
0.6636 Remote Similarity NPD7115 Discovery
0.6634 Remote Similarity NPD4767 Approved
0.6634 Remote Similarity NPD4768 Approved
0.6632 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6632 Remote Similarity NPD7900 Approved
0.6623 Remote Similarity NPD368 Approved
0.6602 Remote Similarity NPD6372 Approved
0.6602 Remote Similarity NPD6373 Approved
0.66 Remote Similarity NPD4754 Approved
0.6598 Remote Similarity NPD6083 Phase 2
0.6598 Remote Similarity NPD6084 Phase 2
0.6593 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6571 Remote Similarity NPD8297 Approved
0.6569 Remote Similarity NPD5697 Approved
0.6569 Remote Similarity NPD5701 Approved
0.6569 Remote Similarity NPD6412 Phase 2
0.6562 Remote Similarity NPD5210 Approved
0.6562 Remote Similarity NPD4629 Approved
0.6538 Remote Similarity NPD6883 Approved
0.6538 Remote Similarity NPD7102 Approved
0.6538 Remote Similarity NPD7290 Approved
0.6517 Remote Similarity NPD4221 Approved
0.6517 Remote Similarity NPD4223 Phase 3
0.6505 Remote Similarity NPD4730 Approved
0.6505 Remote Similarity NPD4729 Approved
0.6505 Remote Similarity NPD5128 Approved
0.6489 Remote Similarity NPD7136 Phase 2
0.6484 Remote Similarity NPD5329 Approved
0.6476 Remote Similarity NPD6617 Approved
0.6476 Remote Similarity NPD6650 Approved
0.6476 Remote Similarity NPD6847 Approved
0.6476 Remote Similarity NPD6649 Approved
0.6476 Remote Similarity NPD6869 Approved
0.6476 Remote Similarity NPD8130 Phase 1
0.6442 Remote Similarity NPD6013 Approved
0.6442 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6442 Remote Similarity NPD6014 Approved
0.6442 Remote Similarity NPD6012 Approved
0.6421 Remote Similarity NPD8035 Phase 2
0.6421 Remote Similarity NPD7637 Suspended
0.6421 Remote Similarity NPD8034 Phase 2
0.6415 Remote Similarity NPD6882 Approved
0.6413 Remote Similarity NPD7521 Approved
0.6413 Remote Similarity NPD7334 Approved
0.6413 Remote Similarity NPD6409 Approved
0.6413 Remote Similarity NPD7146 Approved
0.6413 Remote Similarity NPD5330 Approved
0.6413 Remote Similarity NPD6684 Approved
0.64 Remote Similarity NPD5344 Discontinued
0.6383 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6383 Remote Similarity NPD6051 Approved
0.6381 Remote Similarity NPD5248 Approved
0.6381 Remote Similarity NPD5251 Approved
0.6381 Remote Similarity NPD5247 Approved
0.6381 Remote Similarity NPD5249 Phase 3
0.6381 Remote Similarity NPD5250 Approved
0.6374 Remote Similarity NPD4197 Approved
0.6355 Remote Similarity NPD4632 Approved
0.6354 Remote Similarity NPD5778 Approved
0.6354 Remote Similarity NPD5779 Approved
0.6346 Remote Similarity NPD6011 Approved
0.6346 Remote Similarity NPD5168 Approved
0.6346 Remote Similarity NPD6686 Approved
0.6321 Remote Similarity NPD5216 Approved
0.6321 Remote Similarity NPD5217 Approved
0.6321 Remote Similarity NPD5215 Approved
0.6321 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6316 Remote Similarity NPD3168 Discontinued
0.6286 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6277 Remote Similarity NPD6672 Approved
0.6277 Remote Similarity NPD5737 Approved
0.6277 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6277 Remote Similarity NPD6903 Approved
0.6273 Remote Similarity NPD7328 Approved
0.6273 Remote Similarity NPD7327 Approved
0.6267 Remote Similarity NPD342 Phase 1
0.6264 Remote Similarity NPD4788 Approved
0.625 Remote Similarity NPD8033 Approved
0.625 Remote Similarity NPD3617 Approved
0.6237 Remote Similarity NPD5205 Approved
0.6237 Remote Similarity NPD4689 Approved
0.6237 Remote Similarity NPD4519 Discontinued
0.6237 Remote Similarity NPD4623 Approved
0.6237 Remote Similarity NPD4138 Approved
0.6237 Remote Similarity NPD4693 Phase 3
0.6237 Remote Similarity NPD4688 Approved
0.6237 Remote Similarity NPD4690 Approved
0.6226 Remote Similarity NPD5169 Approved
0.6226 Remote Similarity NPD5135 Approved
0.6226 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6224 Remote Similarity NPD5695 Phase 3
0.6216 Remote Similarity NPD7516 Approved
0.6207 Remote Similarity NPD6117 Approved
0.62 Remote Similarity NPD5696 Approved
0.6196 Remote Similarity NPD6400 Clinical (unspecified phase)
0.619 Remote Similarity NPD4787 Phase 1
0.6182 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6176 Remote Similarity NPD7632 Discontinued
0.617 Remote Similarity NPD3573 Approved
0.6168 Remote Similarity NPD5127 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3315231
ZINC  

Physicochemical Properties

Molecular Weight:  338.25
ALogP:  -0.6814
MLogP:  3.22
XLogP:  2.538
# Rotatable Bonds:  10
Polar Surface Area:  80.92
# H-Bond Aceptor:  4
# H-Bond Donor:  4
# Rings:  3
# Heavy Atoms:  24

Download Data

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