Natural Product: NPC474230

Natural Product ID:  NPC474230
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C25H38O2
Standard InCHIKey:  HSJVZKCDRVNGSG-YOYAZAHMSA-N
Standard InCHI:  InChI=1S/C25H38O2/c1-17(2)16-18(3)19-8-9-20-22(19,4)13-10-21-23(5)11-6-7-12-24(23)14-15-25(20,21)27-26-24/h14-16,18-21H,6-13H2,1-5H3/t18-,19-,20-,21-,22-,23-,24+,25+/m1/s1
Canonical SMILES:  CC(=C[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@]32OO[C@]2([C@]1(C)CCCC2)C=C3)C)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
NPO32840 topsentia sp. Species NA Eukaryota PMID[17190456]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT574 Cell Line XF498 Homo sapiens ED50 > 30 ug/ml Open TG-GATES in vivo data: Biochemistry
NPT146 Cell Line SK-OV-3 Homo sapiens ED50 = 19.4 ug/ml Open TG-GATES in vivo data: Biochemistry
NPT148 Cell Line HCT-15 Homo sapiens ED50 = 21.4 ug/ml 26334499
NPT147 Cell Line SK-MEL-2 Homo sapiens ED50 = 25.9 ug/ml 26334499
NPT81 Cell Line A549 Homo sapiens ED50 = 30 ug/ml 18591277

  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 NPC474230 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
0.9583 High Similarity NPC474231
0.9452 High Similarity NPC475025
0.9189 High Similarity NPC475027
0.8554 High Similarity NPC101886
0.8434 Intermediate Similarity NPC212596
0.8434 Intermediate Similarity NPC4574
0.8313 Intermediate Similarity NPC304083
0.8235 Intermediate Similarity NPC14380
0.8214 Intermediate Similarity NPC475605
0.8148 Intermediate Similarity NPC218616
0.8148 Intermediate Similarity NPC296701
0.8133 Intermediate Similarity NPC475728
0.8072 Intermediate Similarity NPC318390
0.8049 Intermediate Similarity NPC134481
0.8025 Intermediate Similarity NPC47761
0.8023 Intermediate Similarity NPC245410
0.8023 Intermediate Similarity NPC192437
0.8023 Intermediate Similarity NPC470390
0.8023 Intermediate Similarity NPC270511
0.8 Intermediate Similarity NPC273410
0.8 Intermediate Similarity NPC80530
0.7952 Intermediate Similarity NPC15534
0.7952 Intermediate Similarity NPC470077
0.7927 Intermediate Similarity NPC87489
0.7927 Intermediate Similarity NPC49964
0.7907 Intermediate Similarity NPC138974
0.7901 Intermediate Similarity NPC102253
0.7901 Intermediate Similarity NPC322313
0.7901 Intermediate Similarity NPC236237
0.7875 Intermediate Similarity NPC6978
0.7875 Intermediate Similarity NPC138621
0.7875 Intermediate Similarity NPC167037
0.7875 Intermediate Similarity NPC285761
0.7875 Intermediate Similarity NPC244385
0.7831 Intermediate Similarity NPC82623
0.7831 Intermediate Similarity NPC470558
0.7805 Intermediate Similarity NPC264245
0.7805 Intermediate Similarity NPC70927
0.7791 Intermediate Similarity NPC133588
0.7778 Intermediate Similarity NPC30986
0.7778 Intermediate Similarity NPC209430
0.7765 Intermediate Similarity NPC261266
0.7765 Intermediate Similarity NPC299068
0.775 Intermediate Similarity NPC470750
0.7738 Intermediate Similarity NPC205845
0.7738 Intermediate Similarity NPC231310
0.7722 Intermediate Similarity NPC133580
0.7711 Intermediate Similarity NPC470049
0.7692 Intermediate Similarity NPC259049
0.7683 Intermediate Similarity NPC209944
0.7683 Intermediate Similarity NPC13554
0.7683 Intermediate Similarity NPC234193
0.7683 Intermediate Similarity NPC241290
0.7683 Intermediate Similarity NPC164840
0.7654 Intermediate Similarity NPC473943
0.7654 Intermediate Similarity NPC477514
0.7647 Intermediate Similarity NPC470360
0.7647 Intermediate Similarity NPC157257
0.7647 Intermediate Similarity NPC274448
0.7647 Intermediate Similarity NPC137493
0.7632 Intermediate Similarity NPC94192
0.7632 Intermediate Similarity NPC139785
0.7625 Intermediate Similarity NPC247325
0.7625 Intermediate Similarity NPC129165
0.7625 Intermediate Similarity NPC134330
0.7625 Intermediate Similarity NPC244488
0.7625 Intermediate Similarity NPC189883
0.7625 Intermediate Similarity NPC470749
0.7625 Intermediate Similarity NPC237460
0.7619 Intermediate Similarity NPC477818
0.7619 Intermediate Similarity NPC207013
0.7614 Intermediate Similarity NPC3345
0.7614 Intermediate Similarity NPC291484
0.7614 Intermediate Similarity NPC80561
0.7614 Intermediate Similarity NPC329596
0.7614 Intermediate Similarity NPC204188
0.7614 Intermediate Similarity NPC11216
0.7595 Intermediate Similarity NPC201048
0.7595 Intermediate Similarity NPC476366
0.7586 Intermediate Similarity NPC471952
0.7561 Intermediate Similarity NPC109546
0.7561 Intermediate Similarity NPC143182
0.7561 Intermediate Similarity NPC84694
0.7561 Intermediate Similarity NPC28862
0.7561 Intermediate Similarity NPC47982
0.7561 Intermediate Similarity NPC81306
0.7561 Intermediate Similarity NPC1319
0.7558 Intermediate Similarity NPC139724
0.7558 Intermediate Similarity NPC6391
0.7532 Intermediate Similarity NPC476431
0.7531 Intermediate Similarity NPC470711
0.7531 Intermediate Similarity NPC91594
0.7531 Intermediate Similarity NPC214570
0.7531 Intermediate Similarity NPC318495
0.7531 Intermediate Similarity NPC198968
0.7531 Intermediate Similarity NPC155986
0.7531 Intermediate Similarity NPC470758
0.7529 Intermediate Similarity NPC238485
0.7529 Intermediate Similarity NPC474047
0.7528 Intermediate Similarity NPC97404
0.7528 Intermediate Similarity NPC41554
0.75 Intermediate Similarity NPC3403
0.75 Intermediate Similarity NPC30166
0.75 Intermediate Similarity NPC202389
0.75 Intermediate Similarity NPC141071
0.75 Intermediate Similarity NPC32832
0.75 Intermediate Similarity NPC470361
0.75 Intermediate Similarity NPC50964
0.75 Intermediate Similarity NPC257347
0.75 Intermediate Similarity NPC101462
0.75 Intermediate Similarity NPC471723
0.7471 Intermediate Similarity NPC149224
0.7471 Intermediate Similarity NPC470620
0.747 Intermediate Similarity NPC236112
0.7468 Intermediate Similarity NPC474140
0.7439 Intermediate Similarity NPC275910
0.7439 Intermediate Similarity NPC11908
0.7439 Intermediate Similarity NPC301707
0.7439 Intermediate Similarity NPC302041
0.7439 Intermediate Similarity NPC65897
0.7439 Intermediate Similarity NPC85346
0.7439 Intermediate Similarity NPC474216
0.7416 Intermediate Similarity NPC295668
0.7412 Intermediate Similarity NPC110778
0.7412 Intermediate Similarity NPC193870
0.7412 Intermediate Similarity NPC475789
0.7412 Intermediate Similarity NPC470384
0.7412 Intermediate Similarity NPC470929
0.7412 Intermediate Similarity NPC141941
0.7412 Intermediate Similarity NPC317458
0.7412 Intermediate Similarity NPC474634
0.7407 Intermediate Similarity NPC46160
0.7407 Intermediate Similarity NPC113733
0.7407 Intermediate Similarity NPC300324
0.7407 Intermediate Similarity NPC321381
0.7407 Intermediate Similarity NPC470362
0.7407 Intermediate Similarity NPC107059
0.7407 Intermediate Similarity NPC14112
0.7407 Intermediate Similarity NPC240604
0.7407 Intermediate Similarity NPC321016
0.7407 Intermediate Similarity NPC202642
0.7407 Intermediate Similarity NPC86305
0.7407 Intermediate Similarity NPC73875
0.7403 Intermediate Similarity NPC160209
0.7386 Intermediate Similarity NPC474668
0.7386 Intermediate Similarity NPC67872
0.7381 Intermediate Similarity NPC23852
0.7381 Intermediate Similarity NPC7505
0.7381 Intermediate Similarity NPC474752
0.7381 Intermediate Similarity NPC476646
0.7381 Intermediate Similarity NPC209620
0.7381 Intermediate Similarity NPC474531
0.7381 Intermediate Similarity NPC82986
0.7381 Intermediate Similarity NPC474731
0.7381 Intermediate Similarity NPC474683
0.7381 Intermediate Similarity NPC474759
0.7368 Intermediate Similarity NPC42630
0.7368 Intermediate Similarity NPC279434
0.7363 Intermediate Similarity NPC127718
0.7363 Intermediate Similarity NPC65402
0.7356 Intermediate Similarity NPC24277
0.7356 Intermediate Similarity NPC201273
0.7356 Intermediate Similarity NPC6605
0.7349 Intermediate Similarity NPC328714
0.7349 Intermediate Similarity NPC215843
0.7349 Intermediate Similarity NPC49627
0.7349 Intermediate Similarity NPC49599
0.7342 Intermediate Similarity NPC167706
0.7326 Intermediate Similarity NPC209802
0.7326 Intermediate Similarity NPC475798
0.7326 Intermediate Similarity NPC469878
0.7326 Intermediate Similarity NPC478102
0.7326 Intermediate Similarity NPC124172
0.7326 Intermediate Similarity NPC474493
0.7326 Intermediate Similarity NPC185568
0.7326 Intermediate Similarity NPC127606
0.7317 Intermediate Similarity NPC132542
0.7317 Intermediate Similarity NPC212241
0.7317 Intermediate Similarity NPC248830
0.7317 Intermediate Similarity NPC470751
0.7317 Intermediate Similarity NPC119355
0.7312 Intermediate Similarity NPC476893
0.7294 Intermediate Similarity NPC20853
0.7294 Intermediate Similarity NPC189972
0.7294 Intermediate Similarity NPC248886
0.7294 Intermediate Similarity NPC5985
0.7284 Intermediate Similarity NPC118508
0.7284 Intermediate Similarity NPC304309
0.7284 Intermediate Similarity NPC22105
0.7284 Intermediate Similarity NPC134847
0.7284 Intermediate Similarity NPC322353
0.7284 Intermediate Similarity NPC231256
0.7284 Intermediate Similarity NPC178383
0.7284 Intermediate Similarity NPC121744
0.7284 Intermediate Similarity NPC291503
0.7284 Intermediate Similarity NPC319090
0.7284 Intermediate Similarity NPC285893
0.7284 Intermediate Similarity NPC104387
0.7284 Intermediate Similarity NPC328104
0.7284 Intermediate Similarity NPC185536

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC474230 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
0.7901 Intermediate Similarity NPD7525 Registered
0.7821 Intermediate Similarity NPD4784 Approved
0.7821 Intermediate Similarity NPD4785 Approved
0.7792 Intermediate Similarity NPD4243 Approved
0.7349 Intermediate Similarity NPD4195 Approved
0.7284 Intermediate Similarity NPD5275 Approved
0.7284 Intermediate Similarity NPD7339 Approved
0.7284 Intermediate Similarity NPD4190 Phase 3
0.7284 Intermediate Similarity NPD6942 Approved
0.716 Intermediate Similarity NPD6924 Approved
0.716 Intermediate Similarity NPD6926 Approved
0.6988 Remote Similarity NPD6933 Approved
0.6988 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6941 Remote Similarity NPD7645 Phase 2
0.6923 Remote Similarity NPD6051 Approved
0.6897 Remote Similarity NPD4223 Phase 3
0.6897 Remote Similarity NPD4221 Approved
0.6889 Remote Similarity NPD4751 Clinical (unspecified phase)
0.686 Remote Similarity NPD6930 Phase 2
0.686 Remote Similarity NPD6931 Approved
0.686 Remote Similarity NPD7514 Phase 3
0.686 Remote Similarity NPD7509 Discontinued
0.6854 Remote Similarity NPD5329 Approved
0.6824 Remote Similarity NPD7322 Clinical (unspecified phase)
0.679 Remote Similarity NPD7144 Approved
0.679 Remote Similarity NPD7143 Approved
0.6778 Remote Similarity NPD6098 Approved
0.6774 Remote Similarity NPD6079 Approved
0.6744 Remote Similarity NPD6929 Approved
0.6742 Remote Similarity NPD4786 Approved
0.6742 Remote Similarity NPD4197 Approved
0.6742 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6739 Remote Similarity NPD5328 Approved
0.6707 Remote Similarity NPD7152 Approved
0.6707 Remote Similarity NPD7150 Approved
0.6707 Remote Similarity NPD7151 Approved
0.6706 Remote Similarity NPD6932 Approved
0.6703 Remote Similarity NPD3573 Approved
0.6702 Remote Similarity NPD4202 Approved
0.6667 Remote Similarity NPD7332 Phase 2
0.6667 Remote Similarity NPD6922 Approved
0.6667 Remote Similarity NPD6923 Approved
0.6629 Remote Similarity NPD6695 Phase 3
0.6628 Remote Similarity NPD7145 Approved
0.6593 Remote Similarity NPD4623 Approved
0.6593 Remote Similarity NPD4690 Approved
0.6593 Remote Similarity NPD3618 Phase 1
0.6593 Remote Similarity NPD5690 Phase 2
0.6593 Remote Similarity NPD4688 Approved
0.6593 Remote Similarity NPD4138 Approved
0.6593 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6593 Remote Similarity NPD4689 Approved
0.6593 Remote Similarity NPD5205 Approved
0.6593 Remote Similarity NPD4519 Discontinued
0.6593 Remote Similarity NPD4693 Phase 3
0.6591 Remote Similarity NPD6902 Approved
0.6585 Remote Similarity NPD4747 Approved
0.6562 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6559 Remote Similarity NPD6080 Approved
0.6559 Remote Similarity NPD6904 Approved
0.6559 Remote Similarity NPD6673 Approved
0.6517 Remote Similarity NPD3667 Approved
0.6512 Remote Similarity NPD6925 Approved
0.6512 Remote Similarity NPD5776 Phase 2
0.65 Remote Similarity NPD5211 Phase 2
0.6484 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6484 Remote Similarity NPD6893 Approved
0.6477 Remote Similarity NPD4748 Discontinued
0.6465 Remote Similarity NPD5285 Approved
0.6465 Remote Similarity NPD4696 Approved
0.6465 Remote Similarity NPD5286 Approved
0.6463 Remote Similarity NPD4137 Phase 3
0.6458 Remote Similarity NPD6001 Approved
0.6452 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6452 Remote Similarity NPD6672 Approved
0.6452 Remote Similarity NPD4722 Approved
0.6452 Remote Similarity NPD5208 Approved
0.6452 Remote Similarity NPD5737 Approved
0.6452 Remote Similarity NPD4723 Approved
0.6429 Remote Similarity NPD4755 Approved
0.6421 Remote Similarity NPD5281 Approved
0.6421 Remote Similarity NPD5284 Approved
0.6421 Remote Similarity NPD5693 Phase 1
0.6413 Remote Similarity NPD6684 Approved
0.6413 Remote Similarity NPD5280 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 NPD4694 Approved
0.64 Remote Similarity NPD5223 Approved
0.6386 Remote Similarity NPD4691 Approved
0.6383 Remote Similarity NPD4753 Phase 2
0.6374 Remote Similarity NPD3133 Approved
0.6374 Remote Similarity NPD3665 Phase 1
0.6374 Remote Similarity NPD3668 Phase 3
0.6374 Remote Similarity NPD3666 Approved
0.6373 Remote Similarity NPD5141 Approved
0.6364 Remote Similarity NPD7638 Approved
0.6364 Remote Similarity NPD6683 Phase 2
0.6354 Remote Similarity NPD6399 Phase 3
0.6353 Remote Similarity NPD4687 Approved
0.6353 Remote Similarity NPD5733 Approved
0.6353 Remote Similarity NPD4058 Approved
0.6344 Remote Similarity NPD7524 Approved
0.6344 Remote Similarity NPD7750 Discontinued
0.6341 Remote Similarity NPD3621 Clinical (unspecified phase)
0.6337 Remote Similarity NPD5226 Approved
0.6337 Remote Similarity NPD4633 Approved
0.6337 Remote Similarity NPD5224 Approved
0.6337 Remote Similarity NPD5225 Approved
0.6327 Remote Similarity NPD5221 Approved
0.6327 Remote Similarity NPD5222 Approved
0.6327 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6316 Remote Similarity NPD5207 Approved
0.63 Remote Similarity NPD4700 Approved
0.63 Remote Similarity NPD7640 Approved
0.63 Remote Similarity NPD7639 Approved
0.6289 Remote Similarity NPD5771 Approved
0.6279 Remote Similarity NPD8264 Approved
0.6277 Remote Similarity NPD6903 Approved
0.6275 Remote Similarity NPD5174 Approved
0.6275 Remote Similarity NPD5175 Approved
0.6264 Remote Similarity NPD4788 Approved
0.6263 Remote Similarity NPD5173 Approved
0.625 Remote Similarity NPD7503 Approved
0.625 Remote Similarity NPD8035 Phase 2
0.625 Remote Similarity NPD3617 Approved
0.625 Remote Similarity NPD5694 Approved
0.625 Remote Similarity NPD8034 Phase 2
0.625 Remote Similarity NPD6050 Approved
0.6224 Remote Similarity NPD5210 Approved
0.6224 Remote Similarity NPD4629 Approved
0.6222 Remote Similarity NPD4692 Approved
0.6222 Remote Similarity NPD6898 Phase 1
0.6222 Remote Similarity NPD4139 Approved
0.619 Remote Similarity NPD6881 Approved
0.619 Remote Similarity NPD6899 Approved
0.6182 Remote Similarity NPD7115 Discovery
0.6162 Remote Similarity NPD4697 Phase 3
0.6154 Remote Similarity NPD6402 Approved
0.6154 Remote Similarity NPD5739 Approved
0.6154 Remote Similarity NPD6675 Approved
0.6154 Remote Similarity NPD7128 Approved
0.6146 Remote Similarity NPD5692 Phase 3
0.6126 Remote Similarity NPD7327 Approved
0.6126 Remote Similarity NPD7328 Approved
0.6122 Remote Similarity NPD7900 Approved
0.6122 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6122 Remote Similarity NPD5707 Approved
0.6118 Remote Similarity NPD5276 Approved
0.6117 Remote Similarity NPD4754 Approved
0.61 Remote Similarity NPD6083 Phase 2
0.61 Remote Similarity NPD6084 Phase 2
0.6095 Remote Similarity NPD5697 Approved
0.6082 Remote Similarity NPD7087 Discontinued
0.6082 Remote Similarity NPD7515 Phase 2
0.6075 Remote Similarity NPD6883 Approved
0.6075 Remote Similarity NPD7102 Approved
0.6075 Remote Similarity NPD7290 Approved
0.6071 Remote Similarity NPD7516 Approved
0.6071 Remote Similarity NPD4267 Clinical (unspecified phase)
0.6064 Remote Similarity NPD5279 Phase 3
0.604 Remote Similarity NPD5290 Discontinued
0.6038 Remote Similarity NPD4729 Approved
0.6038 Remote Similarity NPD6011 Approved
0.6038 Remote Similarity NPD4730 Approved
0.6038 Remote Similarity NPD7320 Approved
0.6019 Remote Similarity NPD6650 Approved
0.6019 Remote Similarity NPD6869 Approved
0.6019 Remote Similarity NPD8130 Phase 1
0.6019 Remote Similarity NPD6847 Approved
0.6019 Remote Similarity NPD6649 Approved
0.6019 Remote Similarity NPD6617 Approved
0.6018 Remote Similarity NPD8294 Approved
0.6018 Remote Similarity NPD8377 Approved
0.6 Remote Similarity NPD4767 Approved
0.6 Remote Similarity NPD6008 Approved
0.6 Remote Similarity NPD368 Approved
0.6 Remote Similarity NPD4768 Approved
0.6 Remote Similarity NPD6938 Clinical (unspecified phase)
0.6 Remote Similarity NPD6939 Phase 2
0.5981 Remote Similarity NPD6014 Approved
0.5981 Remote Similarity NPD6012 Approved
0.5981 Remote Similarity NPD6372 Approved
0.5981 Remote Similarity NPD6373 Approved
0.5981 Remote Similarity NPD6013 Approved
0.5979 Remote Similarity NPD4096 Approved
0.5978 Remote Similarity NPD4752 Clinical (unspecified phase)
0.5965 Remote Similarity NPD8296 Approved
0.5965 Remote Similarity NPD8335 Approved
0.5965 Remote Similarity NPD8380 Approved
0.5965 Remote Similarity NPD8379 Approved
0.5965 Remote Similarity NPD8378 Approved
0.5965 Remote Similarity NPD8033 Approved
0.5963 Remote Similarity NPD6882 Approved
0.5963 Remote Similarity NPD8297 Approved
0.596 Remote Similarity NPD7748 Approved
0.5952 Remote Similarity NPD5361 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   44566504
ChEMBL   CHEMBL463900
ZINC  

Physicochemical Properties

Molecular Weight:  370.29
ALogP:  3.4333
MLogP:  3.99
XLogP:  7.641
# Rotatable Bonds:  7
Polar Surface Area:  18.46
# H-Bond Aceptor:  2
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  27

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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