Natural Product: NPC477522

Natural Product ID:  NPC477522
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C28H46O2
Standard InCHIKey:  VQIMWWKEEWJICR-LPUDQSKKSA-N
Standard InCHI:  InChI=1S/C28H46O2/c1-17(2)18(3)7-8-19(4)26-25(30)16-24-22-10-9-20-15-21(29)11-13-27(20,5)23(22)12-14-28(24,26)6/h9,17,19,21-26,29-30H,3,7-8,10-16H2,1-2,4-6H3/t19-,21+,22-,23+,24+,25-,26+,27+,28+/m1/s1
Canonical SMILES:  O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3C[C@H]([C@@H]2[C@@H](CCC(=C)C(C)C)C)O)C)C1)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
NPO32454 monanchora sp. Species Crambeidae Eukaryota at 15–20 m depth off the shore of Gageo Island, southwestern Korea 2009-JUL PMID[25455409]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT113 Cell Line RAW264.7 Mus musculus Inhibition = 67 % 25455409
NPT113 Cell Line RAW264.7 Mus musculus IC50 = 5200 nM 25455409

  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 NPC477522 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
0.973 High Similarity NPC26117
0.9722 High Similarity NPC107059
0.9722 High Similarity NPC96319
0.9722 High Similarity NPC321016
0.9722 High Similarity NPC321381
0.9595 High Similarity NPC1319
0.9589 High Similarity NPC155986
0.9589 High Similarity NPC198968
0.9589 High Similarity NPC318495
0.9583 High Similarity NPC136188
0.9583 High Similarity NPC288035
0.9583 High Similarity NPC134847
0.9583 High Similarity NPC28657
0.9583 High Similarity NPC304309
0.9583 High Similarity NPC162742
0.9583 High Similarity NPC230301
0.9583 High Similarity NPC285893
0.9583 High Similarity NPC22105
0.9474 High Similarity NPC470614
0.9474 High Similarity NPC1272
0.9459 High Similarity NPC474216
0.9459 High Similarity NPC473943
0.9459 High Similarity NPC87604
0.9459 High Similarity NPC477514
0.9452 High Similarity NPC240604
0.9452 High Similarity NPC300324
0.9452 High Similarity NPC113733
0.9333 High Similarity NPC109546
0.9333 High Similarity NPC143182
0.9333 High Similarity NPC328714
0.9333 High Similarity NPC28862
0.9333 High Similarity NPC47982
0.9333 High Similarity NPC81306
0.9333 High Similarity NPC84694
0.9324 High Similarity NPC34019
0.9315 High Similarity NPC257347
0.9315 High Similarity NPC141071
0.9315 High Similarity NPC471723
0.9231 High Similarity NPC124172
0.9231 High Similarity NPC209802
0.9221 High Similarity NPC201852
0.9211 High Similarity NPC209944
0.9211 High Similarity NPC164840
0.9211 High Similarity NPC234193
0.9211 High Similarity NPC241290
0.92 High Similarity NPC76931
0.92 High Similarity NPC307965
0.92 High Similarity NPC275910
0.92 High Similarity NPC18603
0.9189 High Similarity NPC129165
0.9189 High Similarity NPC189883
0.9189 High Similarity NPC134330
0.9114 High Similarity NPC474349
0.9114 High Similarity NPC474189
0.9091 High Similarity NPC23852
0.9091 High Similarity NPC474683
0.9091 High Similarity NPC474759
0.9091 High Similarity NPC82986
0.9091 High Similarity NPC474752
0.9091 High Similarity NPC209620
0.9091 High Similarity NPC474731
0.9091 High Similarity NPC264245
0.9091 High Similarity NPC470383
0.9091 High Similarity NPC47761
0.9091 High Similarity NPC474531
0.9091 High Similarity NPC7505
0.9079 High Similarity NPC30986
0.9079 High Similarity NPC209430
0.9067 High Similarity NPC214570
0.9041 High Similarity NPC474140
0.9041 High Similarity NPC471799
0.9 High Similarity NPC152808
0.9 High Similarity NPC24277
0.9 High Similarity NPC293287
0.8974 High Similarity NPC5985
0.8974 High Similarity NPC50964
0.8974 High Similarity NPC101462
0.8974 High Similarity NPC49964
0.8974 High Similarity NPC20853
0.8974 High Similarity NPC189972
0.8961 High Similarity NPC236112
0.8947 High Similarity NPC167037
0.8947 High Similarity NPC285761
0.8947 High Similarity NPC6978
0.8947 High Similarity NPC138621
0.8947 High Similarity NPC244385
0.8933 High Similarity NPC237460
0.8933 High Similarity NPC73875
0.8933 High Similarity NPC247325
0.8933 High Similarity NPC202642
0.8933 High Similarity NPC244488
0.8933 High Similarity NPC470362
0.8933 High Similarity NPC46160
0.8919 High Similarity NPC471797
0.8875 High Similarity NPC318390
0.8861 High Similarity NPC317458
0.8861 High Similarity NPC475789
0.8861 High Similarity NPC474634
0.8861 High Similarity NPC110778
0.8861 High Similarity NPC477818
0.8831 High Similarity NPC80530
0.8831 High Similarity NPC273410
0.88 High Similarity NPC322353
0.88 High Similarity NPC121744
0.88 High Similarity NPC118508
0.878 High Similarity NPC470542
0.878 High Similarity NPC328313
0.875 High Similarity NPC205845
0.875 High Similarity NPC59453
0.875 High Similarity NPC33913
0.875 High Similarity NPC472265
0.875 High Similarity NPC185568
0.875 High Similarity NPC127606
0.875 High Similarity NPC160209
0.875 High Similarity NPC82902
0.875 High Similarity NPC221758
0.875 High Similarity NPC475798
0.875 High Similarity NPC208999
0.8734 High Similarity NPC470049
0.8734 High Similarity NPC30166
0.8734 High Similarity NPC248886
0.8718 High Similarity NPC102253
0.8718 High Similarity NPC13554
0.8718 High Similarity NPC236237
0.8718 High Similarity NPC322313
0.8701 High Similarity NPC85346
0.8701 High Similarity NPC65897
0.8701 High Similarity NPC186191
0.8701 High Similarity NPC205455
0.8701 High Similarity NPC302041
0.8675 High Similarity NPC105495
0.8675 High Similarity NPC76879
0.8667 High Similarity NPC329090
0.8667 High Similarity NPC243342
0.8667 High Similarity NPC469534
0.8667 High Similarity NPC477138
0.8667 High Similarity NPC469533
0.8667 High Similarity NPC27395
0.8667 High Similarity NPC469593
0.8659 High Similarity NPC271967
0.8649 High Similarity NPC242001
0.8642 High Similarity NPC266511
0.8642 High Similarity NPC157257
0.8642 High Similarity NPC274448
0.8642 High Similarity NPC474218
0.8625 High Similarity NPC141941
0.8625 High Similarity NPC193870
0.8608 High Similarity NPC6434
0.859 High Similarity NPC472463
0.8571 High Similarity NPC471798
0.8554 High Similarity NPC2158
0.8554 High Similarity NPC471952
0.8553 High Similarity NPC291503
0.8553 High Similarity NPC66566
0.8553 High Similarity NPC471468
0.8553 High Similarity NPC477923
0.8553 High Similarity NPC319090
0.8553 High Similarity NPC328104
0.8537 High Similarity NPC145879
0.8537 High Similarity NPC51014
0.8537 High Similarity NPC31564
0.8537 High Similarity NPC94462
0.8537 High Similarity NPC474732
0.8537 High Similarity NPC477604
0.8537 High Similarity NPC201273
0.8537 High Similarity NPC474778
0.8537 High Similarity NPC6391
0.8537 High Similarity NPC469994
0.8537 High Similarity NPC474733
0.8537 High Similarity NPC155011
0.8537 High Similarity NPC261266
0.8537 High Similarity NPC474970
0.8533 High Similarity NPC472506
0.8533 High Similarity NPC182717
0.8533 High Similarity NPC201373
0.8519 High Similarity NPC478102
0.8519 High Similarity NPC470077
0.8519 High Similarity NPC474047
0.8519 High Similarity NPC238485
0.8514 High Similarity NPC475728
0.8514 High Similarity NPC145498
0.85 High Similarity NPC87489
0.85 High Similarity NPC218616
0.85 High Similarity NPC296701
0.85 High Similarity NPC202389
0.85 High Similarity NPC151519
0.8481 Intermediate Similarity NPC78545
0.8481 Intermediate Similarity NPC71535
0.8462 Intermediate Similarity NPC312328
0.8462 Intermediate Similarity NPC99168
0.8462 Intermediate Similarity NPC83351
0.8462 Intermediate Similarity NPC470396
0.8462 Intermediate Similarity NPC475337
0.8462 Intermediate Similarity NPC477817
0.8462 Intermediate Similarity NPC474989
0.8462 Intermediate Similarity NPC22955
0.8462 Intermediate Similarity NPC42853
0.8462 Intermediate Similarity NPC477819
0.8462 Intermediate Similarity NPC318136
0.8462 Intermediate Similarity NPC167891

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC477522 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
0.9722 High Similarity NPD3701 Clinical (unspecified phase)
0.9583 High Similarity NPD7339 Approved
0.9583 High Similarity NPD6942 Approved
0.8919 High Similarity NPD4784 Approved
0.8919 High Similarity NPD4785 Approved
0.8904 High Similarity NPD4243 Approved
0.875 High Similarity NPD4786 Approved
0.8718 High Similarity NPD7525 Registered
0.8667 High Similarity NPD6926 Approved
0.8667 High Similarity NPD6924 Approved
0.8659 High Similarity NPD4751 Clinical (unspecified phase)
0.85 High Similarity NPD3667 Approved
0.8481 Intermediate Similarity NPD4748 Discontinued
0.8442 Intermediate Similarity NPD6933 Approved
0.84 Intermediate Similarity NPD7150 Approved
0.84 Intermediate Similarity NPD7152 Approved
0.84 Intermediate Similarity NPD7151 Approved
0.8378 Intermediate Similarity NPD6923 Approved
0.8378 Intermediate Similarity NPD6922 Approved
0.8312 Intermediate Similarity NPD4190 Phase 3
0.8312 Intermediate Similarity NPD5275 Approved
0.8293 Intermediate Similarity NPD3133 Approved
0.8293 Intermediate Similarity NPD3665 Phase 1
0.8293 Intermediate Similarity NPD3666 Approved
0.8267 Intermediate Similarity NPD7144 Approved
0.8267 Intermediate Similarity NPD7143 Approved
0.8125 Intermediate Similarity NPD6929 Approved
0.8125 Intermediate Similarity NPD4195 Approved
0.8125 Intermediate Similarity NPD7645 Phase 2
0.8025 Intermediate Similarity NPD6931 Approved
0.8025 Intermediate Similarity NPD6930 Phase 2
0.8023 Intermediate Similarity NPD5328 Approved
0.7955 Intermediate Similarity NPD4202 Approved
0.7882 Intermediate Similarity NPD3618 Phase 1
0.7875 Intermediate Similarity NPD6932 Approved
0.7875 Intermediate Similarity NPD6925 Approved
0.7875 Intermediate Similarity NPD5776 Phase 2
0.7841 Intermediate Similarity NPD6079 Approved
0.7831 Intermediate Similarity NPD4221 Approved
0.7831 Intermediate Similarity NPD4223 Phase 3
0.7816 Intermediate Similarity NPD4753 Phase 2
0.7805 Intermediate Similarity NPD7509 Discontinued
0.7778 Intermediate Similarity NPD7145 Approved
0.7765 Intermediate Similarity NPD5329 Approved
0.7753 Intermediate Similarity NPD6399 Phase 3
0.7738 Intermediate Similarity NPD6695 Phase 3
0.7683 Intermediate Similarity NPD6683 Phase 2
0.7647 Intermediate Similarity NPD4197 Approved
0.7647 Intermediate Similarity NPD3668 Phase 3
0.7647 Intermediate Similarity NPD7338 Clinical (unspecified phase)
0.7609 Intermediate Similarity NPD4755 Approved
0.759 Intermediate Similarity NPD7514 Phase 3
0.7561 Intermediate Similarity NPD7322 Clinical (unspecified phase)
0.7558 Intermediate Similarity NPD6893 Approved
0.7529 Intermediate Similarity NPD4788 Approved
0.75 Intermediate Similarity NPD6902 Approved
0.7471 Intermediate Similarity NPD4688 Approved
0.7471 Intermediate Similarity NPD7146 Approved
0.7471 Intermediate Similarity NPD5279 Phase 3
0.7471 Intermediate Similarity NPD4693 Phase 3
0.7471 Intermediate Similarity NPD5205 Approved
0.7471 Intermediate Similarity NPD4690 Approved
0.7471 Intermediate Similarity NPD7521 Approved
0.7471 Intermediate Similarity NPD7334 Approved
0.7471 Intermediate Similarity NPD6409 Approved
0.7471 Intermediate Similarity NPD4138 Approved
0.7471 Intermediate Similarity NPD6684 Approved
0.7471 Intermediate Similarity NPD4689 Approved
0.7471 Intermediate Similarity NPD5330 Approved
0.7447 Intermediate Similarity NPD5286 Approved
0.7447 Intermediate Similarity NPD4700 Approved
0.7447 Intermediate Similarity NPD4696 Approved
0.7447 Intermediate Similarity NPD5285 Approved
0.7419 Intermediate Similarity NPD6083 Phase 2
0.7419 Intermediate Similarity NPD6084 Phase 2
0.7416 Intermediate Similarity NPD6051 Approved
0.7407 Intermediate Similarity NPD8264 Approved
0.7391 Intermediate Similarity NPD5210 Approved
0.7391 Intermediate Similarity NPD4629 Approved
0.7386 Intermediate Similarity NPD7524 Approved
0.7386 Intermediate Similarity NPD7750 Discontinued
0.7381 Intermediate Similarity NPD7332 Phase 2
0.7368 Intermediate Similarity NPD5223 Approved
0.7356 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7342 Intermediate Similarity NPD4787 Phase 1
0.7312 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7312 Intermediate Similarity NPD5221 Approved
0.7312 Intermediate Similarity NPD4697 Phase 3
0.7312 Intermediate Similarity NPD5222 Approved
0.7303 Intermediate Similarity NPD4723 Approved
0.7303 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7303 Intermediate Similarity NPD6903 Approved
0.7303 Intermediate Similarity NPD4722 Approved
0.7294 Intermediate Similarity NPD6898 Phase 1
0.7292 Intermediate Similarity NPD5224 Approved
0.7292 Intermediate Similarity NPD5225 Approved
0.7292 Intermediate Similarity NPD5226 Approved
0.7292 Intermediate Similarity NPD4633 Approved
0.7292 Intermediate Similarity NPD5211 Phase 2
0.7273 Intermediate Similarity NPD5280 Approved
0.7273 Intermediate Similarity NPD4694 Approved
0.7273 Intermediate Similarity NPD5690 Phase 2
0.7245 Intermediate Similarity NPD7128 Approved
0.7245 Intermediate Similarity NPD6675 Approved
0.7245 Intermediate Similarity NPD6402 Approved
0.7245 Intermediate Similarity NPD5739 Approved
0.7234 Intermediate Similarity NPD5173 Approved
0.7216 Intermediate Similarity NPD4754 Approved
0.7216 Intermediate Similarity NPD5175 Approved
0.7216 Intermediate Similarity NPD5174 Approved
0.7158 Intermediate Similarity NPD7638 Approved
0.7143 Intermediate Similarity NPD5141 Approved
0.71 Intermediate Similarity NPD6881 Approved
0.71 Intermediate Similarity NPD7320 Approved
0.71 Intermediate Similarity NPD6899 Approved
0.7093 Intermediate Similarity NPD4139 Approved
0.7093 Intermediate Similarity NPD4692 Approved
0.7083 Intermediate Similarity NPD7639 Approved
0.7083 Intermediate Similarity NPD7640 Approved
0.7079 Intermediate Similarity NPD6098 Approved
0.7071 Intermediate Similarity NPD4768 Approved
0.7071 Intermediate Similarity NPD4767 Approved
0.7065 Intermediate Similarity NPD7087 Discontinued
0.7065 Intermediate Similarity NPD7515 Phase 2
0.703 Intermediate Similarity NPD6373 Approved
0.703 Intermediate Similarity NPD6372 Approved
0.7021 Intermediate Similarity NPD5695 Phase 3
0.7 Intermediate Similarity NPD4267 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD5701 Approved
0.7 Intermediate Similarity NPD5697 Approved
0.6979 Remote Similarity NPD5696 Approved
0.6979 Remote Similarity NPD5290 Discontinued
0.6961 Remote Similarity NPD7102 Approved
0.6961 Remote Similarity NPD6883 Approved
0.6961 Remote Similarity NPD7290 Approved
0.6941 Remote Similarity NPD3617 Approved
0.6931 Remote Similarity NPD6011 Approved
0.6931 Remote Similarity NPD4730 Approved
0.6931 Remote Similarity NPD5128 Approved
0.6931 Remote Similarity NPD4729 Approved
0.6923 Remote Similarity NPD5737 Approved
0.6923 Remote Similarity NPD6672 Approved
0.6914 Remote Similarity NPD4245 Approved
0.6914 Remote Similarity NPD4244 Approved
0.6893 Remote Similarity NPD6869 Approved
0.6893 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6893 Remote Similarity NPD6649 Approved
0.6893 Remote Similarity NPD6650 Approved
0.6893 Remote Similarity NPD6617 Approved
0.6893 Remote Similarity NPD8130 Phase 1
0.6893 Remote Similarity NPD6847 Approved
0.6889 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6882 Remote Similarity NPD5281 Approved
0.6882 Remote Similarity NPD5284 Approved
0.6863 Remote Similarity NPD6013 Approved
0.6863 Remote Similarity NPD6014 Approved
0.6863 Remote Similarity NPD6012 Approved
0.6848 Remote Similarity NPD6673 Approved
0.6848 Remote Similarity NPD6080 Approved
0.6848 Remote Similarity NPD6904 Approved
0.6837 Remote Similarity NPD4159 Approved
0.6832 Remote Similarity NPD6412 Phase 2
0.6829 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6829 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6827 Remote Similarity NPD8297 Approved
0.6827 Remote Similarity NPD6882 Approved
0.6796 Remote Similarity NPD5250 Approved
0.6796 Remote Similarity NPD5135 Approved
0.6796 Remote Similarity NPD5249 Phase 3
0.6796 Remote Similarity NPD5251 Approved
0.6796 Remote Similarity NPD5169 Approved
0.6796 Remote Similarity NPD5248 Approved
0.6796 Remote Similarity NPD4634 Approved
0.6796 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6796 Remote Similarity NPD5247 Approved
0.679 Remote Similarity NPD3698 Phase 2
0.6782 Remote Similarity NPD4695 Discontinued
0.6774 Remote Similarity NPD4096 Approved
0.6739 Remote Similarity NPD4518 Approved
0.6739 Remote Similarity NPD5208 Approved
0.6737 Remote Similarity NPD7748 Approved
0.6731 Remote Similarity NPD5216 Approved
0.6731 Remote Similarity NPD5215 Approved
0.6731 Remote Similarity NPD5127 Approved
0.6731 Remote Similarity NPD5217 Approved
0.6707 Remote Similarity NPD4747 Approved
0.6702 Remote Similarity NPD7637 Suspended
0.6702 Remote Similarity NPD8035 Phase 2
0.6702 Remote Similarity NPD8034 Phase 2
0.6667 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6632 Remote Similarity NPD5133 Approved
0.6604 Remote Similarity NPD4632 Approved
0.6602 Remote Similarity NPD5168 Approved
0.6596 Remote Similarity NPD7136 Phase 2
0.6596 Remote Similarity NPD4001 Clinical (unspecified phase)
0.6591 Remote Similarity NPD6928 Phase 2
0.6585 Remote Similarity NPD3700 Clinical (unspecified phase)
0.6585 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6585 Remote Similarity NPD4137 Phase 3

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3577033
ZINC  

Physicochemical Properties

Molecular Weight:  414.35
ALogP:  1.3952
MLogP:  4.32
XLogP:  7.809
# Rotatable Bonds:  12
Polar Surface Area:  40.46
# H-Bond Aceptor:  2
# H-Bond Donor:  2
# Rings:  4
# Heavy Atoms:  30

Download Data

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