Natural Product: NPC475

Natural Product ID:  NPC475
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C20H32O2
Standard InCHIKey:  CAFQISIWCGVCME-SKSNXLECSA-N
Standard InCHI:  InChI=1S/C20H32O2/c1-12-13-10-14(21)16-19(4)8-5-7-18(2,3)15(19)6-9-20(16,11-13)17(12)22/h13-17,21-22H,1,5-11H2,2-4H3/t13-,14+,15-,16+,17-,19-,20-/m1/s1
Canonical SMILES:  O[C@H]1C[C@@H]2C[C@]3([C@@H]1[C@]1(C)CCCC([C@H]1CC3)(C)C)[C@@H](C2=C)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
NPO32442 jungermannia fauriana Species Jungermanniaceae Eukaryota Guangxi Zhuang Autonomous Region, China PMID[25856683]
NPO20739 Jungermannia hyalina Species Jungermanniaceae Eukaryota Guangxi Zhuang Autonomous Region, China PMID[25856683]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT90 Cell Line DU-145 Homo sapiens IC50 > 50000 nM 23964644
NPT2 Others Unspecified IC50 > 50000 nM 22652254
NPT2410 Cell Line NCI-H1299 Homo sapiens IC50 > 50000 nM 22119150
NPT82 Cell Line MDA-MB-231 Homo sapiens IC50 > 50000 nM 12502326
NPT2 Others Unspecified IC50 > 50000 nM 14738391
NPT2 Others Unspecified IC50 > 50000 nM 20061160
NPT2 Others Unspecified IC50 > 50000 nM 17696332
NPT111 Cell Line K562 Homo sapiens IC50 > 50000 nM 15043409
NPT858 Cell Line LNCaP Homo sapiens IC50 > 50000 nM 17531354
NPT2 Others Unspecified IC50 > 50000 nM 10924160
NPT114 Cell Line LoVo Homo sapiens IC50 > 50000 nM 14510611
NPT2 Others Unspecified IC50 > 50000 nM 18180357
NPT2 Others Unspecified IC50 > 50000 nM 10.1039/C1MD00188D
NPT2 Others Unspecified IC50 > 50000 nM 19687244

  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 NPC475 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
1.0 High Similarity NPC472502
0.9863 High Similarity NPC24504
0.973 High Similarity NPC47149
0.9726 High Similarity NPC472499
0.9726 High Similarity NPC472500
0.9595 High Similarity NPC476316
0.9589 High Similarity NPC138502
0.9459 High Similarity NPC477817
0.9459 High Similarity NPC477819
0.9452 High Similarity NPC38141
0.9333 High Similarity NPC5604
0.9324 High Similarity NPC307336
0.9324 High Similarity NPC260301
0.9306 High Similarity NPC472506
0.9231 High Similarity NPC256567
0.9211 High Similarity NPC71535
0.9211 High Similarity NPC78545
0.92 High Similarity NPC472501
0.9178 High Similarity NPC472503
0.9178 High Similarity NPC308440
0.9167 High Similarity NPC164045
0.9091 High Similarity NPC157655
0.9054 High Similarity NPC185536
0.8947 High Similarity NPC301707
0.8919 High Similarity NPC476736
0.8861 High Similarity NPC232023
0.8861 High Similarity NPC110778
0.8861 High Similarity NPC477818
0.8816 High Similarity NPC202540
0.8816 High Similarity NPC212241
0.8816 High Similarity NPC257191
0.8816 High Similarity NPC119355
0.8816 High Similarity NPC248830
0.8816 High Similarity NPC331618
0.88 High Similarity NPC3403
0.878 High Similarity NPC160304
0.8767 High Similarity NPC45296
0.8765 High Similarity NPC139724
0.875 High Similarity NPC255882
0.8718 High Similarity NPC475679
0.8701 High Similarity NPC31828
0.8701 High Similarity NPC472342
0.8701 High Similarity NPC42853
0.8684 High Similarity NPC86305
0.8684 High Similarity NPC14112
0.8649 High Similarity NPC111234
0.8625 High Similarity NPC141941
0.8625 High Similarity NPC193870
0.859 High Similarity NPC49599
0.859 High Similarity NPC49627
0.859 High Similarity NPC475727
0.859 High Similarity NPC472742
0.859 High Similarity NPC116119
0.859 High Similarity NPC80297
0.8571 High Similarity NPC194485
0.8571 High Similarity NPC53890
0.8571 High Similarity NPC219937
0.8571 High Similarity NPC123252
0.8553 High Similarity NPC70982
0.8553 High Similarity NPC103822
0.8553 High Similarity NPC212879
0.8553 High Similarity NPC240235
0.8553 High Similarity NPC231256
0.8553 High Similarity NPC104387
0.8553 High Similarity NPC230704
0.8553 High Similarity NPC178383
0.8537 High Similarity NPC24277
0.8537 High Similarity NPC121981
0.8537 High Similarity NPC201273
0.8519 High Similarity NPC124172
0.8519 High Similarity NPC209802
0.8519 High Similarity NPC475798
0.8519 High Similarity NPC127606
0.8462 Intermediate Similarity NPC138621
0.8462 Intermediate Similarity NPC6978
0.8462 Intermediate Similarity NPC167037
0.8462 Intermediate Similarity NPC244385
0.8442 Intermediate Similarity NPC278091
0.8442 Intermediate Similarity NPC93662
0.8442 Intermediate Similarity NPC91573
0.8442 Intermediate Similarity NPC78067
0.8421 Intermediate Similarity NPC5046
0.8421 Intermediate Similarity NPC145552
0.8421 Intermediate Similarity NPC192638
0.8421 Intermediate Similarity NPC62657
0.8421 Intermediate Similarity NPC25511
0.8421 Intermediate Similarity NPC254509
0.8421 Intermediate Similarity NPC49168
0.8421 Intermediate Similarity NPC196358
0.8395 Intermediate Similarity NPC470929
0.8395 Intermediate Similarity NPC85095
0.8395 Intermediate Similarity NPC216420
0.8395 Intermediate Similarity NPC211135
0.8378 Intermediate Similarity NPC477820
0.8372 Intermediate Similarity NPC26046
0.8354 Intermediate Similarity NPC80530
0.8354 Intermediate Similarity NPC273410
0.8354 Intermediate Similarity NPC1319
0.8353 Intermediate Similarity NPC100313
0.8333 Intermediate Similarity NPC27243
0.8333 Intermediate Similarity NPC476737
0.8313 Intermediate Similarity NPC6605
0.8312 Intermediate Similarity NPC200243
0.8312 Intermediate Similarity NPC144075
0.8293 Intermediate Similarity NPC86238
0.8289 Intermediate Similarity NPC195489
0.8272 Intermediate Similarity NPC472504
0.8272 Intermediate Similarity NPC296701
0.8272 Intermediate Similarity NPC470614
0.8272 Intermediate Similarity NPC1272
0.8272 Intermediate Similarity NPC218616
0.8267 Intermediate Similarity NPC283316
0.8267 Intermediate Similarity NPC251201
0.8267 Intermediate Similarity NPC63588
0.8267 Intermediate Similarity NPC232925
0.8256 Intermediate Similarity NPC130840
0.825 Intermediate Similarity NPC236237
0.825 Intermediate Similarity NPC102253
0.825 Intermediate Similarity NPC26117
0.825 Intermediate Similarity NPC322313
0.8243 Intermediate Similarity NPC245795
0.8235 Intermediate Similarity NPC105495
0.8228 Intermediate Similarity NPC102708
0.8228 Intermediate Similarity NPC477514
0.8228 Intermediate Similarity NPC285761
0.8214 Intermediate Similarity NPC472495
0.8214 Intermediate Similarity NPC474657
0.8214 Intermediate Similarity NPC186145
0.8205 Intermediate Similarity NPC237460
0.8182 Intermediate Similarity NPC241047
0.8171 Intermediate Similarity NPC113978
0.8148 Intermediate Similarity NPC23852
0.8148 Intermediate Similarity NPC209620
0.8148 Intermediate Similarity NPC476646
0.8133 Intermediate Similarity NPC234511
0.8125 Intermediate Similarity NPC30986
0.8125 Intermediate Similarity NPC472463
0.8125 Intermediate Similarity NPC209430
0.8118 Intermediate Similarity NPC475664
0.8118 Intermediate Similarity NPC133588
0.8118 Intermediate Similarity NPC470542
0.8118 Intermediate Similarity NPC471952
0.8108 Intermediate Similarity NPC269077
0.8108 Intermediate Similarity NPC253303
0.8101 Intermediate Similarity NPC470711
0.8101 Intermediate Similarity NPC130136
0.8101 Intermediate Similarity NPC470758
0.8095 Intermediate Similarity NPC293287
0.8095 Intermediate Similarity NPC6391
0.8095 Intermediate Similarity NPC152808
0.8095 Intermediate Similarity NPC261266
0.8095 Intermediate Similarity NPC299068
0.809 Intermediate Similarity NPC292718
0.809 Intermediate Similarity NPC111834
0.809 Intermediate Similarity NPC306797
0.809 Intermediate Similarity NPC169270
0.8082 Intermediate Similarity NPC282619
0.8082 Intermediate Similarity NPC258595
0.8082 Intermediate Similarity NPC2728
0.8082 Intermediate Similarity NPC11555
0.8082 Intermediate Similarity NPC172613
0.8082 Intermediate Similarity NPC300442
0.8082 Intermediate Similarity NPC60837
0.8082 Intermediate Similarity NPC208198
0.8077 Intermediate Similarity NPC32832
0.8072 Intermediate Similarity NPC263974
0.8072 Intermediate Similarity NPC299963
0.8068 Intermediate Similarity NPC3359
0.8068 Intermediate Similarity NPC280804
0.8052 Intermediate Similarity NPC211009
0.8052 Intermediate Similarity NPC470610
0.8049 Intermediate Similarity NPC50964
0.8049 Intermediate Similarity NPC248886
0.8049 Intermediate Similarity NPC170985
0.8049 Intermediate Similarity NPC145143
0.8049 Intermediate Similarity NPC46881
0.8025 Intermediate Similarity NPC96362
0.8025 Intermediate Similarity NPC13554
0.8023 Intermediate Similarity NPC470361
0.8023 Intermediate Similarity NPC74258
0.8023 Intermediate Similarity NPC109744
0.8 Intermediate Similarity NPC266578
0.8 Intermediate Similarity NPC477522
0.8 Intermediate Similarity NPC87604
0.8 Intermediate Similarity NPC470620
0.8 Intermediate Similarity NPC85346
0.8 Intermediate Similarity NPC11908
0.8 Intermediate Similarity NPC302041
0.8 Intermediate Similarity NPC472497
0.8 Intermediate Similarity NPC65897
0.8 Intermediate Similarity NPC474216
0.7978 Intermediate Similarity NPC30477
0.7976 Intermediate Similarity NPC164424
0.7976 Intermediate Similarity NPC292553
0.7976 Intermediate Similarity NPC470360
0.7976 Intermediate Similarity NPC318390
0.7975 Intermediate Similarity NPC189883
0.7975 Intermediate Similarity NPC244488
0.7975 Intermediate Similarity NPC63958
0.7975 Intermediate Similarity NPC247325

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC475 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
0.825 Intermediate Similarity NPD7525 Registered
0.7791 Intermediate Similarity NPD4751 Clinical (unspecified phase)
0.775 Intermediate Similarity NPD3701 Clinical (unspecified phase)
0.7683 Intermediate Similarity NPD6929 Approved
0.7625 Intermediate Similarity NPD7339 Approved
0.7625 Intermediate Similarity NPD6942 Approved
0.759 Intermediate Similarity NPD6930 Phase 2
0.759 Intermediate Similarity NPD6931 Approved
0.7558 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7529 Intermediate Similarity NPD4788 Approved
0.747 Intermediate Similarity NPD7645 Phase 2
0.7468 Intermediate Similarity NPD4243 Approved
0.7442 Intermediate Similarity NPD7338 Clinical (unspecified phase)
0.7439 Intermediate Similarity NPD6925 Approved
0.7439 Intermediate Similarity NPD5776 Phase 2
0.7349 Intermediate Similarity NPD7145 Approved
0.7342 Intermediate Similarity NPD4787 Phase 1
0.7326 Intermediate Similarity NPD6695 Phase 3
0.7284 Intermediate Similarity NPD4785 Approved
0.7284 Intermediate Similarity NPD4784 Approved
0.7284 Intermediate Similarity NPD6926 Approved
0.7284 Intermediate Similarity NPD6924 Approved
0.7263 Intermediate Similarity NPD7640 Approved
0.7263 Intermediate Similarity NPD7639 Approved
0.7215 Intermediate Similarity NPD4267 Clinical (unspecified phase)
0.7176 Intermediate Similarity NPD7514 Phase 3
0.7176 Intermediate Similarity NPD6928 Phase 2
0.7176 Intermediate Similarity NPD4748 Discontinued
0.7174 Intermediate Similarity NPD4202 Approved
0.7159 Intermediate Similarity NPD6893 Approved
0.7158 Intermediate Similarity NPD7638 Approved
0.7108 Intermediate Similarity NPD6933 Approved
0.7093 Intermediate Similarity NPD6902 Approved
0.7065 Intermediate Similarity NPD8034 Phase 2
0.7065 Intermediate Similarity NPD8035 Phase 2
0.7045 Intermediate Similarity NPD3666 Approved
0.7045 Intermediate Similarity NPD4786 Approved
0.7045 Intermediate Similarity NPD3133 Approved
0.7045 Intermediate Similarity NPD3665 Phase 1
0.7033 Intermediate Similarity NPD5328 Approved
0.7024 Intermediate Similarity NPD6932 Approved
0.7 Intermediate Similarity NPD7750 Discontinued
0.7 Intermediate Similarity NPD6922 Approved
0.7 Intermediate Similarity NPD7524 Approved
0.7 Intermediate Similarity NPD6923 Approved
0.6988 Remote Similarity NPD5275 Approved
0.6988 Remote Similarity NPD4190 Phase 3
0.6977 Remote Similarity NPD7509 Discontinued
0.6977 Remote Similarity NPD7332 Phase 2
0.6941 Remote Similarity NPD6118 Approved
0.6941 Remote Similarity NPD6114 Approved
0.6941 Remote Similarity NPD6115 Approved
0.6941 Remote Similarity NPD6697 Approved
0.6939 Remote Similarity NPD5211 Phase 2
0.6914 Remote Similarity NPD4244 Approved
0.6914 Remote Similarity NPD4245 Approved
0.6914 Remote Similarity NPD7144 Approved
0.6914 Remote Similarity NPD7143 Approved
0.6897 Remote Similarity NPD6898 Phase 1
0.6889 Remote Similarity NPD3618 Phase 1
0.6882 Remote Similarity NPD6079 Approved
0.6875 Remote Similarity NPD4755 Approved
0.686 Remote Similarity NPD4195 Approved
0.686 Remote Similarity NPD6683 Phase 2
0.6829 Remote Similarity NPD7152 Approved
0.6829 Remote Similarity NPD7150 Approved
0.6829 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6829 Remote Similarity NPD7151 Approved
0.6829 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6824 Remote Similarity NPD6116 Phase 1
0.6818 Remote Similarity NPD3667 Approved
0.68 Remote Similarity NPD5141 Approved
0.679 Remote Similarity NPD3698 Phase 2
0.6786 Remote Similarity NPD3703 Phase 2
0.6768 Remote Similarity NPD7632 Discontinued
0.6744 Remote Similarity NPD7322 Clinical (unspecified phase)
0.6735 Remote Similarity NPD5285 Approved
0.6735 Remote Similarity NPD4700 Approved
0.6735 Remote Similarity NPD5286 Approved
0.6735 Remote Similarity NPD4696 Approved
0.6706 Remote Similarity NPD6117 Approved
0.6702 Remote Similarity NPD7087 Discontinued
0.6667 Remote Similarity NPD4753 Phase 2
0.6667 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5223 Approved
0.6629 Remote Similarity NPD4221 Approved
0.6629 Remote Similarity NPD4223 Phase 3
0.66 Remote Similarity NPD4633 Approved
0.66 Remote Similarity NPD5225 Approved
0.66 Remote Similarity NPD5226 Approved
0.66 Remote Similarity NPD5224 Approved
0.6593 Remote Similarity NPD5329 Approved
0.6588 Remote Similarity NPD8264 Approved
0.6585 Remote Similarity NPD3700 Clinical (unspecified phase)
0.6585 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6569 Remote Similarity NPD5739 Approved
0.6569 Remote Similarity NPD6402 Approved
0.6569 Remote Similarity NPD6675 Approved
0.6569 Remote Similarity NPD7128 Approved
0.6535 Remote Similarity NPD4754 Approved
0.6535 Remote Similarity NPD5174 Approved
0.6535 Remote Similarity NPD5175 Approved
0.6526 Remote Similarity NPD7515 Phase 2
0.6514 Remote Similarity NPD7328 Approved
0.6514 Remote Similarity NPD7327 Approved
0.6506 Remote Similarity NPD4789 Approved
0.6489 Remote Similarity NPD6051 Approved
0.6484 Remote Similarity NPD4197 Approved
0.6476 Remote Similarity NPD4634 Approved
0.6458 Remote Similarity NPD6399 Phase 3
0.6455 Remote Similarity NPD7516 Approved
0.6449 Remote Similarity NPD8133 Approved
0.6442 Remote Similarity NPD7320 Approved
0.6442 Remote Similarity NPD6881 Approved
0.6442 Remote Similarity NPD6899 Approved
0.6429 Remote Similarity NPD5222 Approved
0.6429 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6429 Remote Similarity NPD5221 Approved
0.6429 Remote Similarity NPD4697 Phase 3
0.6408 Remote Similarity NPD4768 Approved
0.6408 Remote Similarity NPD4767 Approved
0.6396 Remote Similarity NPD8294 Approved
0.6396 Remote Similarity NPD8377 Approved
0.6383 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6381 Remote Similarity NPD6373 Approved
0.6381 Remote Similarity NPD6372 Approved
0.6364 Remote Similarity NPD6084 Phase 2
0.6364 Remote Similarity NPD6083 Phase 2
0.6364 Remote Similarity NPD5173 Approved
0.6354 Remote Similarity NPD7637 Suspended
0.6346 Remote Similarity NPD6412 Phase 2
0.6346 Remote Similarity NPD5701 Approved
0.6346 Remote Similarity NPD5697 Approved
0.6344 Remote Similarity NPD5279 Phase 3
0.6344 Remote Similarity NPD4690 Approved
0.6344 Remote Similarity NPD4688 Approved
0.6344 Remote Similarity NPD7334 Approved
0.6344 Remote Similarity NPD7146 Approved
0.6344 Remote Similarity NPD4689 Approved
0.6344 Remote Similarity NPD5330 Approved
0.6344 Remote Similarity NPD4138 Approved
0.6344 Remote Similarity NPD6409 Approved
0.6344 Remote Similarity NPD6684 Approved
0.6344 Remote Similarity NPD5205 Approved
0.6344 Remote Similarity NPD4693 Phase 3
0.6344 Remote Similarity NPD7521 Approved
0.6339 Remote Similarity NPD8033 Approved
0.6339 Remote Similarity NPD8378 Approved
0.6339 Remote Similarity NPD8296 Approved
0.6339 Remote Similarity NPD8380 Approved
0.6339 Remote Similarity NPD8335 Approved
0.6339 Remote Similarity NPD8379 Approved
0.6329 Remote Similarity NPD368 Approved
0.6327 Remote Similarity NPD5210 Approved
0.6327 Remote Similarity NPD4629 Approved
0.6321 Remote Similarity NPD7290 Approved
0.6321 Remote Similarity NPD7102 Approved
0.6321 Remote Similarity NPD6883 Approved
0.6296 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6296 Remote Similarity NPD4632 Approved
0.6289 Remote Similarity NPD8171 Discontinued
0.6286 Remote Similarity NPD4730 Approved
0.6286 Remote Similarity NPD6011 Approved
0.6286 Remote Similarity NPD4729 Approved
0.6286 Remote Similarity NPD5128 Approved
0.6265 Remote Similarity NPD5360 Phase 3
0.6265 Remote Similarity NPD5361 Clinical (unspecified phase)
0.6262 Remote Similarity NPD6847 Approved
0.6262 Remote Similarity NPD8130 Phase 1
0.6262 Remote Similarity NPD6650 Approved
0.6262 Remote Similarity NPD6649 Approved
0.6262 Remote Similarity NPD6869 Approved
0.6262 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6262 Remote Similarity NPD6617 Approved
0.625 Remote Similarity NPD7136 Phase 2
0.6226 Remote Similarity NPD6014 Approved
0.6226 Remote Similarity NPD6013 Approved
0.6226 Remote Similarity NPD6012 Approved
0.6224 Remote Similarity NPD7748 Approved
0.6211 Remote Similarity NPD4722 Approved
0.6211 Remote Similarity NPD6903 Approved
0.6211 Remote Similarity NPD4723 Approved
0.6204 Remote Similarity NPD6882 Approved
0.6204 Remote Similarity NPD8297 Approved
0.62 Remote Similarity NPD7902 Approved
0.6195 Remote Similarity NPD7503 Approved
0.6176 Remote Similarity NPD4159 Approved
0.617 Remote Similarity NPD5280 Approved
0.617 Remote Similarity NPD5690 Phase 2
0.617 Remote Similarity NPD4694 Approved
0.617 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6168 Remote Similarity NPD5250 Approved
0.6168 Remote Similarity NPD5249 Phase 3
0.6168 Remote Similarity NPD5135 Approved
0.6168 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6168 Remote Similarity NPD5169 Approved
0.6168 Remote Similarity NPD5248 Approved
0.6168 Remote Similarity NPD5247 Approved
0.6168 Remote Similarity NPD5251 Approved
0.6154 Remote Similarity NPD4692 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3426506
ZINC  

Physicochemical Properties

Molecular Weight:  304.24
ALogP:  0.4708
MLogP:  3.44
XLogP:  5.008
# Rotatable Bonds:  5
Polar Surface Area:  40.46
# H-Bond Aceptor:  2
# H-Bond Donor:  2
# Rings:  4
# Heavy Atoms:  22

Download Data

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