Natural Product: NPC474231

Natural Product ID:  NPC474231
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C28H44O2
Standard InCHIKey:  UCQJLPOKKJIZQU-ROIBAQGNSA-N
Standard InCHI:  InChI=1S/C28H44O2/c1-19(2)20(3)9-10-21(4)22-11-12-23-25(22,5)16-13-24-26(6)14-7-8-15-27(26)17-18-28(23,24)30-29-27/h9-10,17-24H,7-8,11-16H2,1-6H3/b10-9+/t20-,21+,22+,23+,24+,25+,26+,27-,28-/m0/s1
Canonical SMILES:  C[C@H](C(C)C)/C=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
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
NPT81 Cell Line A549 Homo sapiens ED50 = 17.5 ug/ml Open TG-GATES in vivo data: Biochemistry
NPT148 Cell Line HCT-15 Homo sapiens ED50 = 21.1 ug/ml 26397393
NPT147 Cell Line SK-MEL-2 Homo sapiens ED50 = 19.4 ug/ml 26397393
NPT574 Cell Line XF498 Homo sapiens ED50 = 24.7 ug/ml 25799376
NPT146 Cell Line SK-OV-3 Homo sapiens ED50 = 17.8 ug/ml 25799376

  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 NPC474231 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 NPC474230
0.9315 High Similarity NPC475027
0.9315 High Similarity NPC475025
0.8313 Intermediate Similarity NPC212596
0.8313 Intermediate Similarity NPC4574
0.8243 Intermediate Similarity NPC475728
0.8214 Intermediate Similarity NPC101886
0.8193 Intermediate Similarity NPC304083
0.8171 Intermediate Similarity NPC318390
0.8148 Intermediate Similarity NPC134481
0.8125 Intermediate Similarity NPC47761
0.8118 Intermediate Similarity NPC14380
0.8095 Intermediate Similarity NPC475605
0.8072 Intermediate Similarity NPC299068
0.8049 Intermediate Similarity NPC470077
0.8025 Intermediate Similarity NPC49964
0.8025 Intermediate Similarity NPC296701
0.8025 Intermediate Similarity NPC218616
0.8025 Intermediate Similarity NPC87489
0.8 Intermediate Similarity NPC138974
0.7952 Intermediate Similarity NPC470360
0.7927 Intermediate Similarity NPC470558
0.7927 Intermediate Similarity NPC82623
0.7907 Intermediate Similarity NPC245410
0.7907 Intermediate Similarity NPC470390
0.7907 Intermediate Similarity NPC192437
0.7907 Intermediate Similarity NPC270511
0.7901 Intermediate Similarity NPC264245
0.7882 Intermediate Similarity NPC133588
0.7875 Intermediate Similarity NPC80530
0.7875 Intermediate Similarity NPC209430
0.7875 Intermediate Similarity NPC273410
0.7875 Intermediate Similarity NPC30986
0.7857 Intermediate Similarity NPC261266
0.7831 Intermediate Similarity NPC231310
0.7831 Intermediate Similarity NPC15534
0.7831 Intermediate Similarity NPC205845
0.7805 Intermediate Similarity NPC470049
0.7792 Intermediate Similarity NPC259049
0.7778 Intermediate Similarity NPC236237
0.7778 Intermediate Similarity NPC322313
0.7778 Intermediate Similarity NPC164840
0.7778 Intermediate Similarity NPC209944
0.7778 Intermediate Similarity NPC241290
0.7778 Intermediate Similarity NPC102253
0.7778 Intermediate Similarity NPC234193
0.775 Intermediate Similarity NPC477514
0.775 Intermediate Similarity NPC244385
0.775 Intermediate Similarity NPC285761
0.775 Intermediate Similarity NPC138621
0.775 Intermediate Similarity NPC6978
0.775 Intermediate Similarity NPC473943
0.775 Intermediate Similarity NPC167037
0.7738 Intermediate Similarity NPC137493
0.7738 Intermediate Similarity NPC274448
0.7738 Intermediate Similarity NPC157257
0.7722 Intermediate Similarity NPC247325
0.7722 Intermediate Similarity NPC134330
0.7722 Intermediate Similarity NPC189883
0.7722 Intermediate Similarity NPC129165
0.7722 Intermediate Similarity NPC244488
0.7701 Intermediate Similarity NPC291484
0.7701 Intermediate Similarity NPC80561
0.7701 Intermediate Similarity NPC329596
0.7701 Intermediate Similarity NPC3345
0.7701 Intermediate Similarity NPC11216
0.7701 Intermediate Similarity NPC204188
0.7654 Intermediate Similarity NPC81306
0.7654 Intermediate Similarity NPC28862
0.7654 Intermediate Similarity NPC1319
0.7654 Intermediate Similarity NPC143182
0.7654 Intermediate Similarity NPC47982
0.7654 Intermediate Similarity NPC109546
0.7654 Intermediate Similarity NPC84694
0.7647 Intermediate Similarity NPC139724
0.7647 Intermediate Similarity NPC6391
0.7625 Intermediate Similarity NPC91594
0.7625 Intermediate Similarity NPC214570
0.7625 Intermediate Similarity NPC155986
0.7625 Intermediate Similarity NPC318495
0.7625 Intermediate Similarity NPC198968
0.7619 Intermediate Similarity NPC238485
0.7619 Intermediate Similarity NPC474047
0.7614 Intermediate Similarity NPC97404
0.7614 Intermediate Similarity NPC41554
0.7595 Intermediate Similarity NPC141071
0.7595 Intermediate Similarity NPC257347
0.7595 Intermediate Similarity NPC471723
0.759 Intermediate Similarity NPC50964
0.759 Intermediate Similarity NPC202389
0.759 Intermediate Similarity NPC30166
0.759 Intermediate Similarity NPC101462
0.7586 Intermediate Similarity NPC470361
0.7564 Intermediate Similarity NPC474140
0.7561 Intermediate Similarity NPC13554
0.7561 Intermediate Similarity NPC236112
0.7558 Intermediate Similarity NPC470620
0.7558 Intermediate Similarity NPC149224
0.7531 Intermediate Similarity NPC11908
0.7531 Intermediate Similarity NPC474216
0.7531 Intermediate Similarity NPC275910
0.75 Intermediate Similarity NPC94192
0.75 Intermediate Similarity NPC240604
0.75 Intermediate Similarity NPC73875
0.75 Intermediate Similarity NPC141941
0.75 Intermediate Similarity NPC107059
0.75 Intermediate Similarity NPC475789
0.75 Intermediate Similarity NPC477818
0.75 Intermediate Similarity NPC113733
0.75 Intermediate Similarity NPC207013
0.75 Intermediate Similarity NPC295668
0.75 Intermediate Similarity NPC470384
0.75 Intermediate Similarity NPC193870
0.75 Intermediate Similarity NPC321381
0.75 Intermediate Similarity NPC46160
0.75 Intermediate Similarity NPC202642
0.75 Intermediate Similarity NPC300324
0.75 Intermediate Similarity NPC237460
0.75 Intermediate Similarity NPC470749
0.75 Intermediate Similarity NPC470362
0.75 Intermediate Similarity NPC321016
0.75 Intermediate Similarity NPC474634
0.75 Intermediate Similarity NPC317458
0.7471 Intermediate Similarity NPC474668
0.7471 Intermediate Similarity NPC471952
0.747 Intermediate Similarity NPC70927
0.747 Intermediate Similarity NPC82986
0.747 Intermediate Similarity NPC476646
0.747 Intermediate Similarity NPC209620
0.747 Intermediate Similarity NPC474683
0.747 Intermediate Similarity NPC474759
0.747 Intermediate Similarity NPC474731
0.747 Intermediate Similarity NPC474531
0.747 Intermediate Similarity NPC23852
0.747 Intermediate Similarity NPC7505
0.747 Intermediate Similarity NPC474752
0.7468 Intermediate Similarity NPC201048
0.7468 Intermediate Similarity NPC476366
0.7467 Intermediate Similarity NPC279434
0.7444 Intermediate Similarity NPC127718
0.7444 Intermediate Similarity NPC65402
0.7442 Intermediate Similarity NPC6605
0.7442 Intermediate Similarity NPC24277
0.7439 Intermediate Similarity NPC328714
0.7412 Intermediate Similarity NPC475798
0.7412 Intermediate Similarity NPC124172
0.7412 Intermediate Similarity NPC478102
0.7412 Intermediate Similarity NPC185568
0.7412 Intermediate Similarity NPC469878
0.7412 Intermediate Similarity NPC209802
0.7412 Intermediate Similarity NPC127606
0.7407 Intermediate Similarity NPC470711
0.7407 Intermediate Similarity NPC470758
0.7407 Intermediate Similarity NPC470750
0.7403 Intermediate Similarity NPC476431
0.7381 Intermediate Similarity NPC248886
0.7381 Intermediate Similarity NPC189972
0.7381 Intermediate Similarity NPC5985
0.7381 Intermediate Similarity NPC20853
0.7375 Intermediate Similarity NPC133580
0.7375 Intermediate Similarity NPC230301
0.7375 Intermediate Similarity NPC22105
0.7375 Intermediate Similarity NPC288035
0.7375 Intermediate Similarity NPC121744
0.7375 Intermediate Similarity NPC304309
0.7375 Intermediate Similarity NPC3403
0.7375 Intermediate Similarity NPC32832
0.7375 Intermediate Similarity NPC285893
0.7375 Intermediate Similarity NPC118508
0.7375 Intermediate Similarity NPC136188
0.7375 Intermediate Similarity NPC28657
0.7375 Intermediate Similarity NPC162742
0.7375 Intermediate Similarity NPC134847
0.7375 Intermediate Similarity NPC322353
0.7375 Intermediate Similarity NPC291503
0.7363 Intermediate Similarity NPC8774
0.7349 Intermediate Similarity NPC96362
0.7349 Intermediate Similarity NPC295131
0.7342 Intermediate Similarity NPC182717
0.7333 Intermediate Similarity NPC27531
0.7333 Intermediate Similarity NPC310013
0.7326 Intermediate Similarity NPC266511
0.7317 Intermediate Similarity NPC205455
0.7317 Intermediate Similarity NPC477522
0.7317 Intermediate Similarity NPC65897
0.7317 Intermediate Similarity NPC85346
0.7317 Intermediate Similarity NPC18603
0.7317 Intermediate Similarity NPC301707
0.7317 Intermediate Similarity NPC475337
0.7317 Intermediate Similarity NPC186191
0.7317 Intermediate Similarity NPC76931
0.7317 Intermediate Similarity NPC300499
0.7317 Intermediate Similarity NPC302041
0.7317 Intermediate Similarity NPC307965
0.7317 Intermediate Similarity NPC87604
0.7303 Intermediate Similarity NPC77796
0.7303 Intermediate Similarity NPC476226
0.7303 Intermediate Similarity NPC273199
0.7303 Intermediate Similarity NPC92885
0.7303 Intermediate Similarity NPC320026

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC474231 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
0.7922 Intermediate Similarity NPD4785 Approved
0.7922 Intermediate Similarity NPD4784 Approved
0.7895 Intermediate Similarity NPD4243 Approved
0.7778 Intermediate Similarity NPD7525 Registered
0.7439 Intermediate Similarity NPD4195 Approved
0.7375 Intermediate Similarity NPD5275 Approved
0.7375 Intermediate Similarity NPD7339 Approved
0.7375 Intermediate Similarity NPD6942 Approved
0.7375 Intermediate Similarity NPD4190 Phase 3
0.7073 Intermediate Similarity NPD3701 Clinical (unspecified phase)
0.7037 Intermediate Similarity NPD6924 Approved
0.7037 Intermediate Similarity NPD6926 Approved
0.7024 Intermediate Similarity NPD7645 Phase 2
0.7 Intermediate Similarity NPD6051 Approved
0.6977 Remote Similarity NPD4223 Phase 3
0.6977 Remote Similarity NPD4221 Approved
0.6966 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6932 Remote Similarity NPD5329 Approved
0.6867 Remote Similarity NPD6933 Approved
0.6854 Remote Similarity NPD6098 Approved
0.6848 Remote Similarity NPD6079 Approved
0.6818 Remote Similarity NPD4786 Approved
0.6818 Remote Similarity NPD4197 Approved
0.6813 Remote Similarity NPD5328 Approved
0.6774 Remote Similarity NPD4202 Approved
0.6744 Remote Similarity NPD6930 Phase 2
0.6744 Remote Similarity NPD6931 Approved
0.6744 Remote Similarity NPD7514 Phase 3
0.6744 Remote Similarity NPD7509 Discontinued
0.6706 Remote Similarity NPD7322 Clinical (unspecified phase)
0.6667 Remote Similarity NPD4690 Approved
0.6667 Remote Similarity NPD4623 Approved
0.6667 Remote Similarity NPD5690 Phase 2
0.6667 Remote Similarity NPD3618 Phase 1
0.6667 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6667 Remote Similarity NPD4688 Approved
0.6667 Remote Similarity NPD5205 Approved
0.6667 Remote Similarity NPD4519 Discontinued
0.6667 Remote Similarity NPD4138 Approved
0.6667 Remote Similarity NPD4689 Approved
0.6667 Remote Similarity NPD7144 Approved
0.6667 Remote Similarity NPD4747 Approved
0.6667 Remote Similarity NPD4693 Phase 3
0.6667 Remote Similarity NPD7143 Approved
0.6632 Remote Similarity NPD6356 Clinical (unspecified phase)
0.663 Remote Similarity NPD6080 Approved
0.663 Remote Similarity NPD6904 Approved
0.663 Remote Similarity NPD6673 Approved
0.6629 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6628 Remote Similarity NPD6929 Approved
0.6593 Remote Similarity NPD3573 Approved
0.6591 Remote Similarity NPD3667 Approved
0.6588 Remote Similarity NPD6932 Approved
0.6585 Remote Similarity NPD7150 Approved
0.6585 Remote Similarity NPD7151 Approved
0.6585 Remote Similarity NPD7152 Approved
0.6566 Remote Similarity NPD5211 Phase 2
0.6552 Remote Similarity NPD7332 Phase 2
0.6552 Remote Similarity NPD4748 Discontinued
0.6543 Remote Similarity NPD6923 Approved
0.6543 Remote Similarity NPD6922 Approved
0.6543 Remote Similarity NPD4137 Phase 3
0.6531 Remote Similarity NPD4696 Approved
0.6531 Remote Similarity NPD5286 Approved
0.6531 Remote Similarity NPD5285 Approved
0.6526 Remote Similarity NPD6001 Approved
0.6522 Remote Similarity NPD4723 Approved
0.6522 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6522 Remote Similarity NPD5208 Approved
0.6522 Remote Similarity NPD6672 Approved
0.6522 Remote Similarity NPD4722 Approved
0.6522 Remote Similarity NPD5737 Approved
0.6517 Remote Similarity NPD6695 Phase 3
0.6512 Remote Similarity NPD7145 Approved
0.6495 Remote Similarity NPD4755 Approved
0.6489 Remote Similarity NPD5693 Phase 1
0.6489 Remote Similarity NPD5284 Approved
0.6489 Remote Similarity NPD5281 Approved
0.6484 Remote Similarity NPD7521 Approved
0.6484 Remote Similarity NPD7334 Approved
0.6484 Remote Similarity NPD5330 Approved
0.6484 Remote Similarity NPD6409 Approved
0.6484 Remote Similarity NPD4694 Approved
0.6484 Remote Similarity NPD7146 Approved
0.6484 Remote Similarity NPD5280 Approved
0.6484 Remote Similarity NPD6684 Approved
0.6477 Remote Similarity NPD6902 Approved
0.6465 Remote Similarity NPD5223 Approved
0.6463 Remote Similarity NPD4691 Approved
0.6452 Remote Similarity NPD4753 Phase 2
0.6444 Remote Similarity NPD3666 Approved
0.6444 Remote Similarity NPD3668 Phase 3
0.6444 Remote Similarity NPD3133 Approved
0.6444 Remote Similarity NPD3665 Phase 1
0.6436 Remote Similarity NPD5141 Approved
0.6429 Remote Similarity NPD5733 Approved
0.6429 Remote Similarity NPD4058 Approved
0.6429 Remote Similarity NPD4687 Approved
0.6421 Remote Similarity NPD6399 Phase 3
0.642 Remote Similarity NPD3621 Clinical (unspecified phase)
0.64 Remote Similarity NPD5225 Approved
0.64 Remote Similarity NPD5226 Approved
0.64 Remote Similarity NPD5224 Approved
0.64 Remote Similarity NPD4633 Approved
0.6395 Remote Similarity NPD5776 Phase 2
0.6395 Remote Similarity NPD6925 Approved
0.6392 Remote Similarity NPD5222 Approved
0.6392 Remote Similarity NPD5221 Approved
0.6392 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6383 Remote Similarity NPD5207 Approved
0.6374 Remote Similarity NPD6893 Approved
0.6374 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6364 Remote Similarity NPD4700 Approved
0.6354 Remote Similarity NPD5771 Approved
0.6353 Remote Similarity NPD8264 Approved
0.6344 Remote Similarity NPD6903 Approved
0.6337 Remote Similarity NPD5174 Approved
0.6337 Remote Similarity NPD5175 Approved
0.6327 Remote Similarity NPD5173 Approved
0.6322 Remote Similarity NPD3617 Approved
0.6316 Remote Similarity NPD5694 Approved
0.6316 Remote Similarity NPD6050 Approved
0.6292 Remote Similarity NPD4692 Approved
0.6292 Remote Similarity NPD4139 Approved
0.6289 Remote Similarity NPD5210 Approved
0.6289 Remote Similarity NPD4629 Approved
0.6263 Remote Similarity NPD7638 Approved
0.625 Remote Similarity NPD6881 Approved
0.625 Remote Similarity NPD6683 Phase 2
0.625 Remote Similarity NPD6899 Approved
0.6239 Remote Similarity NPD7115 Discovery
0.6237 Remote Similarity NPD7750 Discontinued
0.6237 Remote Similarity NPD7524 Approved
0.6224 Remote Similarity NPD4697 Phase 3
0.6214 Remote Similarity NPD6675 Approved
0.6214 Remote Similarity NPD7128 Approved
0.6214 Remote Similarity NPD5739 Approved
0.6214 Remote Similarity NPD6402 Approved
0.6211 Remote Similarity NPD5692 Phase 3
0.62 Remote Similarity NPD7640 Approved
0.62 Remote Similarity NPD7639 Approved
0.619 Remote Similarity NPD5276 Approved
0.6186 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6186 Remote Similarity NPD7900 Approved
0.6186 Remote Similarity NPD5707 Approved
0.6176 Remote Similarity NPD4754 Approved
0.6162 Remote Similarity NPD6084 Phase 2
0.6162 Remote Similarity NPD6083 Phase 2
0.6161 Remote Similarity NPD7503 Approved
0.6154 Remote Similarity NPD4788 Approved
0.6154 Remote Similarity NPD5697 Approved
0.6146 Remote Similarity NPD8034 Phase 2
0.6146 Remote Similarity NPD7515 Phase 2
0.6146 Remote Similarity NPD8035 Phase 2
0.6145 Remote Similarity NPD4267 Clinical (unspecified phase)
0.6132 Remote Similarity NPD7102 Approved
0.6132 Remote Similarity NPD6883 Approved
0.6132 Remote Similarity NPD7290 Approved
0.6129 Remote Similarity NPD5279 Phase 3
0.6111 Remote Similarity NPD6898 Phase 1
0.61 Remote Similarity NPD5290 Discontinued
0.6095 Remote Similarity NPD4729 Approved
0.6095 Remote Similarity NPD6011 Approved
0.6095 Remote Similarity NPD7320 Approved
0.6095 Remote Similarity NPD4730 Approved
0.6076 Remote Similarity NPD368 Approved
0.6075 Remote Similarity NPD6617 Approved
0.6075 Remote Similarity NPD6650 Approved
0.6075 Remote Similarity NPD8130 Phase 1
0.6075 Remote Similarity NPD6649 Approved
0.6075 Remote Similarity NPD6869 Approved
0.6075 Remote Similarity NPD6847 Approved
0.6071 Remote Similarity NPD6939 Phase 2
0.6071 Remote Similarity NPD6938 Clinical (unspecified phase)
0.6058 Remote Similarity NPD6008 Approved
0.6058 Remote Similarity NPD4767 Approved
0.6058 Remote Similarity NPD4768 Approved
0.6042 Remote Similarity NPD4096 Approved
0.6038 Remote Similarity NPD6012 Approved
0.6038 Remote Similarity NPD6014 Approved
0.6038 Remote Similarity NPD6372 Approved
0.6038 Remote Similarity NPD6013 Approved
0.6038 Remote Similarity NPD6373 Approved
0.6024 Remote Similarity NPD5360 Phase 3
0.6024 Remote Similarity NPD5361 Clinical (unspecified phase)
0.602 Remote Similarity NPD7748 Approved
0.6019 Remote Similarity NPD8297 Approved
0.6019 Remote Similarity NPD6882 Approved
0.6 Remote Similarity NPD4518 Approved
0.6 Remote Similarity NPD7902 Approved
0.6 Remote Similarity NPD5701 Approved
0.6 Remote Similarity NPD4695 Discontinued
0.5981 Remote Similarity NPD5251 Approved
0.5981 Remote Similarity NPD5135 Approved
0.5981 Remote Similarity NPD5249 Phase 3
0.5981 Remote Similarity NPD5247 Approved
0.5981 Remote Similarity NPD5134 Clinical (unspecified phase)
0.5981 Remote Similarity NPD4634 Approved
0.5981 Remote Similarity NPD5169 Approved
0.5981 Remote Similarity NPD5248 Approved

Structure

External Identifiers

PubChem CID   44566505
ChEMBL   CHEMBL463901
ZINC  

Physicochemical Properties

Molecular Weight:  412.33
ALogP:  3.0512
MLogP:  4.32
XLogP:  9.624
# Rotatable Bonds:  10
Polar Surface Area:  18.46
# H-Bond Aceptor:  2
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  30

Download Data

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