Natural Product: NPC155924

Natural Product ID:  NPC155924
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C27H44O2
Standard InCHIKey:  FWDWUWPIWNWLFQ-ZWQSCVCHSA-N
Standard InCHI:  InChI=1S/C27H44O2/c1-17(2)5-10-25-18(3)22-8-9-24-21-7-6-19-15-20(28)11-13-26(19,4)23(21)12-14-27(22,24)16-29-25/h17,19-24,28H,5-16H2,1-4H3/t19-,20-,21+,22+,23-,24-,26-,27-/m0/s1
Canonical SMILES:  CC(CCC1=C(C)[C@@H]2[C@@]3(CO1)CC[C@H]1[C@H]([C@@H]3CC2)CC[C@@H]2[C@]1(C)CC[C@@H](C2)O)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
NPO32762 axinella cf. bidderi Species Axinellidae Eukaryota Indian Ocean PMID[15043442]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified GI50 = 6.66 ug/ml 10.6019/CHEMBL1201861
NPT858 Cell Line LNCaP Homo sapiens GI50 = 2.88 ug/ml 10.6019/CHEMBL1201861
NPT114 Cell Line LoVo Homo sapiens GI50 = 8.29 ug/ml 20022253

  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 NPC155924 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
0.9103 High Similarity NPC5985
0.859 High Similarity NPC285761
0.859 High Similarity NPC167037
0.859 High Similarity NPC244385
0.859 High Similarity NPC138621
0.859 High Similarity NPC6978
0.8571 High Similarity NPC237460
0.8481 Intermediate Similarity NPC273410
0.8481 Intermediate Similarity NPC80530
0.8442 Intermediate Similarity NPC231256
0.8442 Intermediate Similarity NPC471723
0.8442 Intermediate Similarity NPC240235
0.8442 Intermediate Similarity NPC257347
0.8442 Intermediate Similarity NPC178383
0.8442 Intermediate Similarity NPC212879
0.8442 Intermediate Similarity NPC141071
0.8442 Intermediate Similarity NPC104387
0.8421 Intermediate Similarity NPC201373
0.8375 Intermediate Similarity NPC322313
0.8375 Intermediate Similarity NPC236237
0.8375 Intermediate Similarity NPC102253
0.8375 Intermediate Similarity NPC13554
0.8354 Intermediate Similarity NPC85346
0.8354 Intermediate Similarity NPC65897
0.8354 Intermediate Similarity NPC302041
0.8333 Intermediate Similarity NPC78067
0.8333 Intermediate Similarity NPC129165
0.8333 Intermediate Similarity NPC14112
0.8333 Intermediate Similarity NPC321016
0.8333 Intermediate Similarity NPC107059
0.8333 Intermediate Similarity NPC73875
0.8333 Intermediate Similarity NPC86305
0.8333 Intermediate Similarity NPC189883
0.8333 Intermediate Similarity NPC134330
0.8333 Intermediate Similarity NPC278091
0.8333 Intermediate Similarity NPC93662
0.8333 Intermediate Similarity NPC321381
0.8312 Intermediate Similarity NPC25511
0.8312 Intermediate Similarity NPC62657
0.8312 Intermediate Similarity NPC192638
0.8289 Intermediate Similarity NPC111234
0.825 Intermediate Similarity NPC30986
0.825 Intermediate Similarity NPC209430
0.825 Intermediate Similarity NPC1319
0.8228 Intermediate Similarity NPC248830
0.8228 Intermediate Similarity NPC214570
0.8228 Intermediate Similarity NPC198968
0.8228 Intermediate Similarity NPC119355
0.8228 Intermediate Similarity NPC202540
0.8228 Intermediate Similarity NPC155986
0.8228 Intermediate Similarity NPC318495
0.8228 Intermediate Similarity NPC212241
0.8205 Intermediate Similarity NPC121744
0.8205 Intermediate Similarity NPC118508
0.8205 Intermediate Similarity NPC162742
0.8205 Intermediate Similarity NPC3403
0.8205 Intermediate Similarity NPC136188
0.8205 Intermediate Similarity NPC230301
0.8205 Intermediate Similarity NPC304309
0.8205 Intermediate Similarity NPC28657
0.8205 Intermediate Similarity NPC322353
0.8205 Intermediate Similarity NPC70982
0.8205 Intermediate Similarity NPC185536
0.8205 Intermediate Similarity NPC22105
0.8205 Intermediate Similarity NPC288035
0.8205 Intermediate Similarity NPC285893
0.8205 Intermediate Similarity NPC230704
0.8205 Intermediate Similarity NPC134847
0.8193 Intermediate Similarity NPC209802
0.8193 Intermediate Similarity NPC474047
0.8182 Intermediate Similarity NPC195489
0.8171 Intermediate Similarity NPC470049
0.8171 Intermediate Similarity NPC218616
0.8171 Intermediate Similarity NPC20853
0.8171 Intermediate Similarity NPC248886
0.8171 Intermediate Similarity NPC296701
0.8158 Intermediate Similarity NPC45296
0.8148 Intermediate Similarity NPC236112
0.8125 Intermediate Similarity NPC473943
0.8125 Intermediate Similarity NPC474216
0.8125 Intermediate Similarity NPC275910
0.8125 Intermediate Similarity NPC102708
0.8125 Intermediate Similarity NPC312328
0.8125 Intermediate Similarity NPC477522
0.8125 Intermediate Similarity NPC42853
0.8125 Intermediate Similarity NPC87604
0.8101 Intermediate Similarity NPC240604
0.8101 Intermediate Similarity NPC46160
0.8101 Intermediate Similarity NPC202642
0.8101 Intermediate Similarity NPC300324
0.8101 Intermediate Similarity NPC470362
0.8101 Intermediate Similarity NPC113733
0.8101 Intermediate Similarity NPC91573
0.8095 Intermediate Similarity NPC16350
0.8095 Intermediate Similarity NPC308041
0.8077 Intermediate Similarity NPC469533
0.8077 Intermediate Similarity NPC49168
0.8077 Intermediate Similarity NPC5046
0.8077 Intermediate Similarity NPC196358
0.8077 Intermediate Similarity NPC469593
0.8077 Intermediate Similarity NPC308440
0.8077 Intermediate Similarity NPC472503
0.8077 Intermediate Similarity NPC469534
0.8077 Intermediate Similarity NPC145552
0.8077 Intermediate Similarity NPC100334
0.8077 Intermediate Similarity NPC254509
0.8072 Intermediate Similarity NPC207013
0.8072 Intermediate Similarity NPC5280
0.8072 Intermediate Similarity NPC110778
0.8072 Intermediate Similarity NPC132635
0.8072 Intermediate Similarity NPC470558
0.8072 Intermediate Similarity NPC113978
0.8072 Intermediate Similarity NPC477818
0.8049 Intermediate Similarity NPC474531
0.8049 Intermediate Similarity NPC116202
0.8049 Intermediate Similarity NPC474683
0.8049 Intermediate Similarity NPC7505
0.8049 Intermediate Similarity NPC474759
0.8049 Intermediate Similarity NPC82986
0.8049 Intermediate Similarity NPC474731
0.8049 Intermediate Similarity NPC70927
0.8049 Intermediate Similarity NPC474752
0.8025 Intermediate Similarity NPC116119
0.8025 Intermediate Similarity NPC143182
0.8025 Intermediate Similarity NPC475727
0.8025 Intermediate Similarity NPC49599
0.8025 Intermediate Similarity NPC109546
0.8025 Intermediate Similarity NPC80297
0.8025 Intermediate Similarity NPC472463
0.8025 Intermediate Similarity NPC49627
0.8025 Intermediate Similarity NPC84694
0.8025 Intermediate Similarity NPC328714
0.8025 Intermediate Similarity NPC28862
0.8025 Intermediate Similarity NPC47982
0.8025 Intermediate Similarity NPC81306
0.8025 Intermediate Similarity NPC472742
0.8023 Intermediate Similarity NPC471952
0.8 Intermediate Similarity NPC157996
0.8 Intermediate Similarity NPC474970
0.8 Intermediate Similarity NPC34177
0.8 Intermediate Similarity NPC331618
0.8 Intermediate Similarity NPC472805
0.8 Intermediate Similarity NPC24277
0.8 Intermediate Similarity NPC40394
0.8 Intermediate Similarity NPC125399
0.8 Intermediate Similarity NPC34019
0.8 Intermediate Similarity NPC90979
0.8 Intermediate Similarity NPC257191
0.8 Intermediate Similarity NPC101475
0.7976 Intermediate Similarity NPC470077
0.7975 Intermediate Similarity NPC200243
0.7975 Intermediate Similarity NPC103822
0.7975 Intermediate Similarity NPC34700
0.7975 Intermediate Similarity NPC138374
0.7952 Intermediate Similarity NPC30166
0.7949 Intermediate Similarity NPC474140
0.7945 Intermediate Similarity NPC114891
0.7931 Intermediate Similarity NPC74258
0.7927 Intermediate Similarity NPC164840
0.7927 Intermediate Similarity NPC234193
0.7927 Intermediate Similarity NPC22403
0.7927 Intermediate Similarity NPC26117
0.7927 Intermediate Similarity NPC206735
0.7927 Intermediate Similarity NPC241290
0.7927 Intermediate Similarity NPC209944
0.7927 Intermediate Similarity NPC475679
0.7922 Intermediate Similarity NPC282454
0.7901 Intermediate Similarity NPC477514
0.7901 Intermediate Similarity NPC300499
0.7901 Intermediate Similarity NPC98386
0.7901 Intermediate Similarity NPC230295
0.7901 Intermediate Similarity NPC307965
0.7901 Intermediate Similarity NPC470396
0.7901 Intermediate Similarity NPC474989
0.7901 Intermediate Similarity NPC205455
0.7901 Intermediate Similarity NPC301707
0.7901 Intermediate Similarity NPC158662
0.7901 Intermediate Similarity NPC99168
0.7901 Intermediate Similarity NPC22955
0.7901 Intermediate Similarity NPC76931
0.7901 Intermediate Similarity NPC196753
0.7901 Intermediate Similarity NPC477817
0.7901 Intermediate Similarity NPC253807
0.7901 Intermediate Similarity NPC72507
0.7901 Intermediate Similarity NPC186191
0.7901 Intermediate Similarity NPC31828
0.7901 Intermediate Similarity NPC472342
0.7901 Intermediate Similarity NPC477819
0.7901 Intermediate Similarity NPC18603
0.7895 Intermediate Similarity NPC160209
0.7882 Intermediate Similarity NPC474349
0.7882 Intermediate Similarity NPC474189
0.7875 Intermediate Similarity NPC38141
0.7875 Intermediate Similarity NPC122418
0.7875 Intermediate Similarity NPC244488
0.7875 Intermediate Similarity NPC290598
0.7875 Intermediate Similarity NPC265328
0.7875 Intermediate Similarity NPC27765
0.7875 Intermediate Similarity NPC120098
0.7875 Intermediate Similarity NPC30590

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC155924 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
0.8375 Intermediate Similarity NPD7525 Registered
0.8205 Intermediate Similarity NPD7339 Approved
0.8205 Intermediate Similarity NPD6942 Approved
0.8025 Intermediate Similarity NPD7645 Phase 2
0.7875 Intermediate Similarity NPD3701 Clinical (unspecified phase)
0.7711 Intermediate Similarity NPD4748 Discontinued
0.7625 Intermediate Similarity NPD6924 Approved
0.7625 Intermediate Similarity NPD6926 Approved
0.7558 Intermediate Similarity NPD4786 Approved
0.7471 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7439 Intermediate Similarity NPD6933 Approved
0.7375 Intermediate Similarity NPD4243 Approved
0.7375 Intermediate Similarity NPD7150 Approved
0.7375 Intermediate Similarity NPD7151 Approved
0.7375 Intermediate Similarity NPD7152 Approved
0.7342 Intermediate Similarity NPD6923 Approved
0.7342 Intermediate Similarity NPD4267 Clinical (unspecified phase)
0.7342 Intermediate Similarity NPD6922 Approved
0.7333 Intermediate Similarity NPD5328 Approved
0.7326 Intermediate Similarity NPD3667 Approved
0.725 Intermediate Similarity NPD7143 Approved
0.725 Intermediate Similarity NPD7144 Approved
0.725 Intermediate Similarity NPD4787 Phase 1
0.7241 Intermediate Similarity NPD6695 Phase 3
0.7195 Intermediate Similarity NPD4784 Approved
0.7195 Intermediate Similarity NPD4785 Approved
0.7191 Intermediate Similarity NPD3618 Phase 1
0.7176 Intermediate Similarity NPD6929 Approved
0.7174 Intermediate Similarity NPD8034 Phase 2
0.7174 Intermediate Similarity NPD8035 Phase 2
0.7174 Intermediate Similarity NPD6079 Approved
0.716 Intermediate Similarity NPD4809 Clinical (unspecified phase)
0.716 Intermediate Similarity NPD4808 Clinical (unspecified phase)
0.7159 Intermediate Similarity NPD7338 Clinical (unspecified phase)
0.7111 Intermediate Similarity NPD4751 Clinical (unspecified phase)
0.7097 Intermediate Similarity NPD6399 Phase 3
0.7093 Intermediate Similarity NPD7509 Discontinued
0.7093 Intermediate Similarity NPD6930 Phase 2
0.7093 Intermediate Similarity NPD6931 Approved
0.7093 Intermediate Similarity NPD6928 Phase 2
0.7083 Intermediate Similarity NPD7638 Approved
0.7045 Intermediate Similarity NPD4788 Approved
0.701 Intermediate Similarity NPD7640 Approved
0.701 Intermediate Similarity NPD7639 Approved
0.6988 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6966 Remote Similarity NPD3133 Approved
0.6966 Remote Similarity NPD3665 Phase 1
0.6966 Remote Similarity NPD3666 Approved
0.6941 Remote Similarity NPD6925 Approved
0.6941 Remote Similarity NPD6932 Approved
0.6941 Remote Similarity NPD5776 Phase 2
0.6923 Remote Similarity NPD7524 Approved
0.6923 Remote Similarity NPD7750 Discontinued
0.6915 Remote Similarity NPD4202 Approved
0.6914 Remote Similarity NPD3700 Clinical (unspecified phase)
0.6914 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6905 Remote Similarity NPD4190 Phase 3
0.6905 Remote Similarity NPD5275 Approved
0.6869 Remote Similarity NPD7632 Discontinued
0.686 Remote Similarity NPD7145 Approved
0.686 Remote Similarity NPD3617 Approved
0.6848 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6842 Remote Similarity NPD7748 Approved
0.6824 Remote Similarity NPD6117 Approved
0.6809 Remote Similarity NPD7515 Phase 2
0.6782 Remote Similarity NPD4195 Approved
0.6782 Remote Similarity NPD6683 Phase 2
0.6768 Remote Similarity NPD4159 Approved
0.6744 Remote Similarity NPD6116 Phase 1
0.6705 Remote Similarity NPD7514 Phase 3
0.6703 Remote Similarity NPD6893 Approved
0.6701 Remote Similarity NPD4697 Phase 3
0.6701 Remote Similarity NPD5222 Approved
0.6701 Remote Similarity NPD5221 Approved
0.6701 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6402 Approved
0.6667 Remote Similarity NPD6118 Approved
0.6667 Remote Similarity NPD7128 Approved
0.6667 Remote Similarity NPD5739 Approved
0.6667 Remote Similarity NPD6114 Approved
0.6667 Remote Similarity NPD7322 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6675 Approved
0.6667 Remote Similarity NPD6115 Approved
0.6667 Remote Similarity NPD6697 Approved
0.6633 Remote Similarity NPD5173 Approved
0.6633 Remote Similarity NPD7902 Approved
0.6633 Remote Similarity NPD4755 Approved
0.6633 Remote Similarity NPD6084 Phase 2
0.6633 Remote Similarity NPD6083 Phase 2
0.6632 Remote Similarity NPD7087 Discontinued
0.663 Remote Similarity NPD5279 Phase 3
0.663 Remote Similarity NPD6684 Approved
0.663 Remote Similarity NPD7334 Approved
0.663 Remote Similarity NPD7146 Approved
0.663 Remote Similarity NPD6409 Approved
0.663 Remote Similarity NPD5330 Approved
0.663 Remote Similarity NPD7521 Approved
0.6629 Remote Similarity NPD6902 Approved
0.6627 Remote Similarity NPD4789 Approved
0.6627 Remote Similarity NPD4244 Approved
0.6627 Remote Similarity NPD4245 Approved
0.6596 Remote Similarity NPD4753 Phase 2
0.6596 Remote Similarity NPD6051 Approved
0.6593 Remote Similarity NPD3668 Phase 3
0.6585 Remote Similarity NPD5361 Clinical (unspecified phase)
0.6585 Remote Similarity NPD5360 Phase 3
0.6556 Remote Similarity NPD4223 Phase 3
0.6556 Remote Similarity NPD4221 Approved
0.6538 Remote Similarity NPD6881 Approved
0.6538 Remote Similarity NPD6899 Approved
0.6538 Remote Similarity NPD7320 Approved
0.6522 Remote Similarity NPD5329 Approved
0.6517 Remote Similarity NPD7332 Phase 2
0.6512 Remote Similarity NPD8264 Approved
0.6512 Remote Similarity NPD3703 Phase 2
0.6506 Remote Similarity NPD3698 Phase 2
0.65 Remote Similarity NPD5286 Approved
0.65 Remote Similarity NPD5285 Approved
0.65 Remote Similarity NPD4696 Approved
0.65 Remote Similarity NPD4700 Approved
0.6489 Remote Similarity NPD6903 Approved
0.6489 Remote Similarity NPD5737 Approved
0.6489 Remote Similarity NPD6672 Approved
0.6476 Remote Similarity NPD6372 Approved
0.6476 Remote Similarity NPD6373 Approved
0.6444 Remote Similarity NPD4139 Approved
0.6444 Remote Similarity NPD6898 Phase 1
0.6444 Remote Similarity NPD4692 Approved
0.6442 Remote Similarity NPD5697 Approved
0.6442 Remote Similarity NPD5701 Approved
0.6436 Remote Similarity NPD5223 Approved
0.642 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6415 Remote Similarity NPD7290 Approved
0.6415 Remote Similarity NPD6883 Approved
0.6415 Remote Similarity NPD7102 Approved
0.6413 Remote Similarity NPD4197 Approved
0.64 Remote Similarity NPD5290 Discontinued
0.6381 Remote Similarity NPD6011 Approved
0.6373 Remote Similarity NPD4633 Approved
0.6373 Remote Similarity NPD5211 Phase 2
0.6373 Remote Similarity NPD5225 Approved
0.6373 Remote Similarity NPD5224 Approved
0.6373 Remote Similarity NPD5226 Approved
0.6364 Remote Similarity NPD7115 Discovery
0.6355 Remote Similarity NPD6847 Approved
0.6355 Remote Similarity NPD6649 Approved
0.6355 Remote Similarity NPD6869 Approved
0.6355 Remote Similarity NPD6617 Approved
0.6355 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6355 Remote Similarity NPD6650 Approved
0.6355 Remote Similarity NPD8130 Phase 1
0.6327 Remote Similarity NPD7900 Approved
0.6327 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6321 Remote Similarity NPD6014 Approved
0.6321 Remote Similarity NPD6012 Approved
0.6321 Remote Similarity NPD6013 Approved
0.6311 Remote Similarity NPD5175 Approved
0.6311 Remote Similarity NPD5174 Approved
0.6311 Remote Similarity NPD4754 Approved
0.6306 Remote Similarity NPD7328 Approved
0.6306 Remote Similarity NPD7327 Approved
0.6296 Remote Similarity NPD6882 Approved
0.6296 Remote Similarity NPD8297 Approved
0.6292 Remote Similarity NPD3671 Phase 1
0.6289 Remote Similarity NPD7637 Suspended
0.6286 Remote Similarity NPD6412 Phase 2
0.6283 Remote Similarity NPD7503 Approved
0.6277 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6277 Remote Similarity NPD4688 Approved
0.6277 Remote Similarity NPD4690 Approved
0.6277 Remote Similarity NPD5205 Approved
0.6277 Remote Similarity NPD4138 Approved
0.6277 Remote Similarity NPD4693 Phase 3
0.6277 Remote Similarity NPD6098 Approved
0.6277 Remote Similarity NPD4689 Approved
0.6263 Remote Similarity NPD4629 Approved
0.6263 Remote Similarity NPD5210 Approved
0.6263 Remote Similarity NPD5695 Phase 3
0.625 Remote Similarity NPD5141 Approved
0.625 Remote Similarity NPD7516 Approved
0.6238 Remote Similarity NPD5696 Approved
0.6224 Remote Similarity NPD8171 Discontinued
0.6195 Remote Similarity NPD8377 Approved
0.6195 Remote Similarity NPD8294 Approved
0.619 Remote Similarity NPD4768 Approved
0.619 Remote Similarity NPD4767 Approved
0.619 Remote Similarity NPD6705 Phase 1
0.6163 Remote Similarity NPD4758 Discontinued
0.6163 Remote Similarity NPD5777 Approved
0.6146 Remote Similarity NPD4723 Approved
0.6146 Remote Similarity NPD4722 Approved
0.614 Remote Similarity NPD8335 Approved
0.614 Remote Similarity NPD8033 Approved
0.614 Remote Similarity NPD8379 Approved
0.614 Remote Similarity NPD8378 Approved
0.614 Remote Similarity NPD8296 Approved
0.614 Remote Similarity NPD8380 Approved
0.6136 Remote Similarity NPD3702 Approved
0.6126 Remote Similarity NPD6868 Approved
0.6105 Remote Similarity NPD5690 Phase 2

Structure

External Identifiers

PubChem CID   21577173
ChEMBL   CHEMBL463892
ZINC  

Physicochemical Properties

Molecular Weight:  400.33
ALogP:  1.3594
MLogP:  4.21
XLogP:  7.981
# Rotatable Bonds:  8
Polar Surface Area:  29.46
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  5
# Heavy Atoms:  29

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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