Natural Product: NPC474832

Natural Product ID:  NPC474832
Common Name:   Variecolol
IUPAC Name:  
Synonyms:   Variecolol
Molecular Formula:   C25H38O2
Standard InCHIKey:  KKLLBIFNYVWKON-HYWMTKJFSA-N
Standard InCHI:  InChI=1S/C25H38O2/c1-15(2)18-8-9-23(4)10-11-24(5)13-19-16(3)12-25(26)21(19)17(14-27-25)6-7-20(24)22(18)23/h6,16,18-22,26H,1,7-14H2,2-5H3/b17-6-/t16-,18+,19-,20-,21-,22-,23-,24+,25+/m0/s1
Canonical SMILES:  C[C@H]1C[C@@]2([C@@H]3[C@H]1C[C@@]1(C)CC[C@]4([C@H]([C@@H]1CC=C3CO2)[C@H](CC4)C(=C)C)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
NPO31502 Emericella aurantiobrunnea Species Aspergillaceae Eukaryota PMID[15497939]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT236 Individual Protein C-C chemokine receptor type 5 Homo sapiens IC50 = 32000 nM 10.6019/CHEMBL1201861

  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 NPC474832 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
0.8 Intermediate Similarity NPC470944
0.7912 Intermediate Similarity NPC471952
0.7907 Intermediate Similarity NPC17550
0.7857 Intermediate Similarity NPC85831
0.7857 Intermediate Similarity NPC265921
0.7857 Intermediate Similarity NPC215215
0.7766 Intermediate Similarity NPC235126
0.7766 Intermediate Similarity NPC242419
0.7755 Intermediate Similarity NPC176406
0.7753 Intermediate Similarity NPC472473
0.7727 Intermediate Similarity NPC474759
0.7727 Intermediate Similarity NPC474683
0.7727 Intermediate Similarity NPC474731
0.7727 Intermediate Similarity NPC82986
0.7727 Intermediate Similarity NPC474752
0.7727 Intermediate Similarity NPC7505
0.7692 Intermediate Similarity NPC173917
0.7634 Intermediate Similarity NPC473647
0.7582 Intermediate Similarity NPC119001
0.7558 Intermediate Similarity NPC152017
0.7551 Intermediate Similarity NPC309493
0.7473 Intermediate Similarity NPC46320
0.7449 Intermediate Similarity NPC177818
0.7447 Intermediate Similarity NPC470819
0.7444 Intermediate Similarity NPC470049
0.7442 Intermediate Similarity NPC313185
0.7416 Intermediate Similarity NPC472470
0.7412 Intermediate Similarity NPC474140
0.7396 Intermediate Similarity NPC307776
0.7391 Intermediate Similarity NPC157257
0.7391 Intermediate Similarity NPC473659
0.7391 Intermediate Similarity NPC266511
0.7391 Intermediate Similarity NPC474694
0.7391 Intermediate Similarity NPC474189
0.7391 Intermediate Similarity NPC274448
0.7391 Intermediate Similarity NPC474349
0.7391 Intermediate Similarity NPC475860
0.7386 Intermediate Similarity NPC477514
0.7386 Intermediate Similarity NPC477522
0.7368 Intermediate Similarity NPC470817
0.7327 Intermediate Similarity NPC471889
0.7326 Intermediate Similarity NPC309178
0.7326 Intermediate Similarity NPC474524
0.7326 Intermediate Similarity NPC475517
0.732 Intermediate Similarity NPC189513
0.7312 Intermediate Similarity NPC286153
0.7303 Intermediate Similarity NPC28862
0.7303 Intermediate Similarity NPC47982
0.7303 Intermediate Similarity NPC109546
0.7303 Intermediate Similarity NPC143182
0.7303 Intermediate Similarity NPC81306
0.7303 Intermediate Similarity NPC84694
0.7303 Intermediate Similarity NPC233295
0.73 Intermediate Similarity NPC472826
0.7292 Intermediate Similarity NPC234335
0.7292 Intermediate Similarity NPC471453
0.7283 Intermediate Similarity NPC474693
0.7283 Intermediate Similarity NPC470077
0.7255 Intermediate Similarity NPC471888
0.7255 Intermediate Similarity NPC471450
0.7255 Intermediate Similarity NPC471886
0.7255 Intermediate Similarity NPC471885
0.7255 Intermediate Similarity NPC471887
0.7255 Intermediate Similarity NPC474775
0.7253 Intermediate Similarity NPC155521
0.7253 Intermediate Similarity NPC122945
0.7253 Intermediate Similarity NPC470614
0.7253 Intermediate Similarity NPC109938
0.7253 Intermediate Similarity NPC1272
0.7245 Intermediate Similarity NPC476894
0.7245 Intermediate Similarity NPC100892
0.7245 Intermediate Similarity NPC135224
0.7245 Intermediate Similarity NPC477969
0.7245 Intermediate Similarity NPC477970
0.7238 Intermediate Similarity NPC128133
0.7234 Intermediate Similarity NPC149224
0.7228 Intermediate Similarity NPC474022
0.7222 Intermediate Similarity NPC26117
0.7222 Intermediate Similarity NPC234193
0.7222 Intermediate Similarity NPC474592
0.7222 Intermediate Similarity NPC206062
0.7216 Intermediate Similarity NPC37816
0.7209 Intermediate Similarity NPC234527
0.7209 Intermediate Similarity NPC14352
0.7204 Intermediate Similarity NPC471795
0.72 Intermediate Similarity NPC471610
0.7191 Intermediate Similarity NPC474216
0.7191 Intermediate Similarity NPC473943
0.7174 Intermediate Similarity NPC470558
0.7174 Intermediate Similarity NPC30502
0.7174 Intermediate Similarity NPC49208
0.7174 Intermediate Similarity NPC23748
0.7174 Intermediate Similarity NPC475789
0.7159 Intermediate Similarity NPC310643
0.7159 Intermediate Similarity NPC96319
0.7159 Intermediate Similarity NPC107059
0.7159 Intermediate Similarity NPC247325
0.7159 Intermediate Similarity NPC476317
0.7159 Intermediate Similarity NPC321016
0.7159 Intermediate Similarity NPC321381
0.7159 Intermediate Similarity NPC244488
0.7158 Intermediate Similarity NPC472378
0.7157 Intermediate Similarity NPC300399
0.7157 Intermediate Similarity NPC37207
0.7157 Intermediate Similarity NPC471482
0.7143 Intermediate Similarity NPC160209
0.7143 Intermediate Similarity NPC23852
0.7143 Intermediate Similarity NPC47761
0.7143 Intermediate Similarity NPC144202
0.7143 Intermediate Similarity NPC472471
0.7143 Intermediate Similarity NPC476945
0.7143 Intermediate Similarity NPC209620
0.7143 Intermediate Similarity NPC264245
0.7128 Intermediate Similarity NPC470050
0.7128 Intermediate Similarity NPC118266
0.7128 Intermediate Similarity NPC470051
0.7128 Intermediate Similarity NPC152808
0.7128 Intermediate Similarity NPC293287
0.7115 Intermediate Similarity NPC220217
0.7115 Intermediate Similarity NPC119855
0.7113 Intermediate Similarity NPC190442
0.7113 Intermediate Similarity NPC94127
0.7113 Intermediate Similarity NPC177641
0.7111 Intermediate Similarity NPC242767
0.7111 Intermediate Similarity NPC30986
0.7111 Intermediate Similarity NPC209430
0.7111 Intermediate Similarity NPC1319
0.7103 Intermediate Similarity NPC13190
0.71 Intermediate Similarity NPC475894
0.71 Intermediate Similarity NPC231751
0.71 Intermediate Similarity NPC476893
0.71 Intermediate Similarity NPC98112
0.71 Intermediate Similarity NPC76266
0.7097 Intermediate Similarity NPC474047
0.7097 Intermediate Similarity NPC116613
0.7097 Intermediate Similarity NPC319238
0.7097 Intermediate Similarity NPC124172
0.7087 Intermediate Similarity NPC160583
0.7087 Intermediate Similarity NPC168575
0.7087 Intermediate Similarity NPC475701
0.7083 Intermediate Similarity NPC299527
0.7083 Intermediate Similarity NPC293044
0.7079 Intermediate Similarity NPC198968
0.7079 Intermediate Similarity NPC476439
0.7079 Intermediate Similarity NPC155986
0.7079 Intermediate Similarity NPC318495
0.7071 Intermediate Similarity NPC8774
0.7065 Intermediate Similarity NPC201852
0.7065 Intermediate Similarity NPC49964
0.7065 Intermediate Similarity NPC50964
0.7065 Intermediate Similarity NPC101462
0.7065 Intermediate Similarity NPC189972
0.7065 Intermediate Similarity NPC5985
0.7059 Intermediate Similarity NPC25177
0.7059 Intermediate Similarity NPC295110
0.7059 Intermediate Similarity NPC268829
0.7059 Intermediate Similarity NPC285231
0.7059 Intermediate Similarity NPC222875
0.7059 Intermediate Similarity NPC21568
0.7059 Intermediate Similarity NPC247701
0.7053 Intermediate Similarity NPC167877
0.7048 Intermediate Similarity NPC475781
0.7045 Intermediate Similarity NPC328104
0.7045 Intermediate Similarity NPC288035
0.7045 Intermediate Similarity NPC304309
0.7045 Intermediate Similarity NPC113639
0.7045 Intermediate Similarity NPC134847
0.7045 Intermediate Similarity NPC162742
0.7045 Intermediate Similarity NPC136188
0.7045 Intermediate Similarity NPC230301
0.7045 Intermediate Similarity NPC22105
0.7045 Intermediate Similarity NPC285893
0.7045 Intermediate Similarity NPC319090
0.7045 Intermediate Similarity NPC28657
0.7041 Intermediate Similarity NPC229976
0.7041 Intermediate Similarity NPC27531
0.7041 Intermediate Similarity NPC98193
0.7037 Intermediate Similarity NPC42171
0.7037 Intermediate Similarity NPC112274
0.7033 Intermediate Similarity NPC80622
0.7033 Intermediate Similarity NPC164840
0.7033 Intermediate Similarity NPC241290
0.7033 Intermediate Similarity NPC76054
0.7033 Intermediate Similarity NPC186072
0.7033 Intermediate Similarity NPC209944
0.703 Intermediate Similarity NPC476895
0.703 Intermediate Similarity NPC181147
0.7024 Intermediate Similarity NPC74885
0.7024 Intermediate Similarity NPC308522
0.7021 Intermediate Similarity NPC42586
0.7021 Intermediate Similarity NPC473251
0.7021 Intermediate Similarity NPC318390
0.7019 Intermediate Similarity NPC473577
0.7019 Intermediate Similarity NPC93352
0.7019 Intermediate Similarity NPC474464
0.7019 Intermediate Similarity NPC272632
0.7019 Intermediate Similarity NPC472819
0.7019 Intermediate Similarity NPC474550
0.7019 Intermediate Similarity NPC475585
0.7019 Intermediate Similarity NPC472228

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC474832 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
0.7159 Intermediate Similarity NPD3701 Clinical (unspecified phase)
0.7126 Intermediate Similarity NPD4784 Approved
0.7126 Intermediate Similarity NPD4785 Approved
0.7093 Intermediate Similarity NPD4243 Approved
0.7083 Intermediate Similarity NPD6051 Approved
0.7045 Intermediate Similarity NPD7339 Approved
0.7045 Intermediate Similarity NPD6942 Approved
0.7021 Intermediate Similarity NPD6082 Clinical (unspecified phase)
0.6932 Remote Similarity NPD6926 Approved
0.6932 Remote Similarity NPD6924 Approved
0.6915 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6875 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6848 Remote Similarity NPD7525 Registered
0.6809 Remote Similarity NPD6695 Phase 3
0.6778 Remote Similarity NPD6933 Approved
0.6739 Remote Similarity NPD6929 Approved
0.67 Remote Similarity NPD6399 Phase 3
0.6699 Remote Similarity NPD7638 Approved
0.6667 Remote Similarity NPD6931 Approved
0.6667 Remote Similarity NPD4190 Phase 3
0.6667 Remote Similarity NPD6922 Approved
0.6667 Remote Similarity NPD6923 Approved
0.6667 Remote Similarity NPD6930 Phase 2
0.6667 Remote Similarity NPD5275 Approved
0.6635 Remote Similarity NPD7640 Approved
0.6635 Remote Similarity NPD7639 Approved
0.6633 Remote Similarity NPD6903 Approved
0.6596 Remote Similarity NPD4790 Discontinued
0.6591 Remote Similarity NPD7143 Approved
0.6591 Remote Similarity NPD7144 Approved
0.6579 Remote Similarity NPD7328 Approved
0.6579 Remote Similarity NPD7327 Approved
0.6562 Remote Similarity NPD4786 Approved
0.6559 Remote Similarity NPD4195 Approved
0.6552 Remote Similarity NPD8033 Approved
0.6531 Remote Similarity NPD7524 Approved
0.6531 Remote Similarity NPD7750 Discontinued
0.6522 Remote Similarity NPD7516 Approved
0.6522 Remote Similarity NPD6925 Approved
0.6522 Remote Similarity NPD5776 Phase 2
0.6517 Remote Similarity NPD7151 Approved
0.6517 Remote Similarity NPD7150 Approved
0.6517 Remote Similarity NPD7152 Approved
0.6489 Remote Similarity NPD7509 Discontinued
0.6489 Remote Similarity NPD4748 Discontinued
0.6489 Remote Similarity NPD7514 Phase 3
0.6466 Remote Similarity NPD8377 Approved
0.6466 Remote Similarity NPD8294 Approved
0.6458 Remote Similarity NPD5332 Approved
0.6458 Remote Similarity NPD5362 Discontinued
0.6458 Remote Similarity NPD5331 Approved
0.6452 Remote Similarity NPD7322 Clinical (unspecified phase)
0.6452 Remote Similarity NPD7145 Approved
0.6442 Remote Similarity NPD6083 Phase 2
0.6442 Remote Similarity NPD6084 Phase 2
0.6429 Remote Similarity NPD6053 Discontinued
0.6429 Remote Similarity NPD7521 Approved
0.6429 Remote Similarity NPD7334 Approved
0.6429 Remote Similarity NPD6409 Approved
0.6429 Remote Similarity NPD6684 Approved
0.6429 Remote Similarity NPD7146 Approved
0.6429 Remote Similarity NPD5330 Approved
0.6421 Remote Similarity NPD6902 Approved
0.641 Remote Similarity NPD8296 Approved
0.641 Remote Similarity NPD8380 Approved
0.641 Remote Similarity NPD8335 Approved
0.641 Remote Similarity NPD8379 Approved
0.641 Remote Similarity NPD8378 Approved
0.6408 Remote Similarity NPD5695 Phase 3
0.6392 Remote Similarity NPD3666 Approved
0.6392 Remote Similarity NPD3665 Phase 1
0.6392 Remote Similarity NPD3133 Approved
0.6364 Remote Similarity NPD7320 Approved
0.6354 Remote Similarity NPD3667 Approved
0.6354 Remote Similarity NPD4223 Phase 3
0.6354 Remote Similarity NPD4221 Approved
0.6344 Remote Similarity NPD6932 Approved
0.6327 Remote Similarity NPD6893 Approved
0.6327 Remote Similarity NPD5329 Approved
0.6316 Remote Similarity NPD7332 Phase 2
0.6316 Remote Similarity NPD6928 Phase 2
0.6316 Remote Similarity NPD5790 Clinical (unspecified phase)
0.63 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6275 Remote Similarity NPD7637 Suspended
0.6275 Remote Similarity NPD5693 Phase 1
0.6275 Remote Similarity NPD7087 Discontinued
0.6273 Remote Similarity NPD6412 Phase 2
0.6271 Remote Similarity NPD7503 Approved
0.6263 Remote Similarity NPD6098 Approved
0.625 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6238 Remote Similarity NPD4753 Phase 2
0.6226 Remote Similarity NPD5696 Approved
0.6226 Remote Similarity NPD4225 Approved
0.6224 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6224 Remote Similarity NPD4197 Approved
0.6214 Remote Similarity NPD4202 Approved
0.6211 Remote Similarity NPD6683 Phase 2
0.6211 Remote Similarity NPD7645 Phase 2
0.62 Remote Similarity NPD4251 Approved
0.62 Remote Similarity NPD4250 Approved
0.6198 Remote Similarity NPD7507 Approved
0.6186 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6182 Remote Similarity NPD6402 Approved
0.6182 Remote Similarity NPD6675 Approved
0.6182 Remote Similarity NPD7128 Approved
0.6182 Remote Similarity NPD5739 Approved
0.6176 Remote Similarity NPD5207 Approved
0.6176 Remote Similarity NPD5785 Approved
0.6146 Remote Similarity NPD4821 Approved
0.6146 Remote Similarity NPD4820 Approved
0.6146 Remote Similarity NPD4819 Approved
0.6146 Remote Similarity NPD4822 Approved
0.614 Remote Similarity NPD6882 Approved
0.6139 Remote Similarity NPD5737 Approved
0.6139 Remote Similarity NPD6672 Approved
0.6129 Remote Similarity NPD8264 Approved
0.6122 Remote Similarity NPD4788 Approved
0.6117 Remote Similarity NPD5281 Approved
0.6117 Remote Similarity NPD5284 Approved
0.6111 Remote Similarity NPD4159 Approved
0.6105 Remote Similarity NPD4268 Approved
0.6105 Remote Similarity NPD4271 Approved
0.61 Remote Similarity NPD4688 Approved
0.61 Remote Similarity NPD4249 Approved
0.61 Remote Similarity NPD4138 Approved
0.61 Remote Similarity NPD5205 Approved
0.61 Remote Similarity NPD5280 Approved
0.61 Remote Similarity NPD4694 Approved
0.61 Remote Similarity NPD5690 Phase 2
0.61 Remote Similarity NPD4689 Approved
0.61 Remote Similarity NPD4690 Approved
0.61 Remote Similarity NPD4693 Phase 3
0.6082 Remote Similarity NPD6898 Phase 1
0.6078 Remote Similarity NPD6080 Approved
0.6078 Remote Similarity NPD5328 Approved
0.6078 Remote Similarity NPD6904 Approved
0.6078 Remote Similarity NPD6673 Approved
0.6071 Remote Similarity NPD6899 Approved
0.6071 Remote Similarity NPD6686 Approved
0.6071 Remote Similarity NPD6881 Approved
0.6055 Remote Similarity NPD7632 Discontinued
0.605 Remote Similarity NPD6059 Approved
0.605 Remote Similarity NPD6054 Approved
0.6048 Remote Similarity NPD7319 Approved
0.6038 Remote Similarity NPD4792 Clinical (unspecified phase)
0.6036 Remote Similarity NPD6008 Approved
0.6018 Remote Similarity NPD6373 Approved
0.6018 Remote Similarity NPD6372 Approved
0.6016 Remote Similarity NPD7078 Approved
0.6 Remote Similarity NPD6001 Approved
0.5982 Remote Similarity NPD5701 Approved
0.5982 Remote Similarity NPD5697 Approved
0.5981 Remote Similarity NPD4755 Approved
0.598 Remote Similarity NPD5208 Approved
0.598 Remote Similarity NPD4722 Approved
0.598 Remote Similarity NPD4723 Approved
0.5965 Remote Similarity NPD7102 Approved
0.5965 Remote Similarity NPD7290 Approved
0.5965 Remote Similarity NPD6883 Approved
0.5962 Remote Similarity NPD6050 Approved
0.5962 Remote Similarity NPD8034 Phase 2
0.5962 Remote Similarity NPD6079 Approved
0.5962 Remote Similarity NPD8035 Phase 2
0.595 Remote Similarity NPD6370 Approved
0.5943 Remote Similarity NPD5210 Approved
0.5943 Remote Similarity NPD4629 Approved
0.5941 Remote Similarity NPD3618 Phase 1
0.5941 Remote Similarity NPD5279 Phase 3
0.5938 Remote Similarity NPD5784 Clinical (unspecified phase)
0.5932 Remote Similarity NPD7115 Discovery
0.593 Remote Similarity NPD1145 Discontinued
0.5929 Remote Similarity NPD6011 Approved
0.5918 Remote Similarity NPD4139 Approved
0.5918 Remote Similarity NPD4692 Approved
0.5913 Remote Similarity NPD6649 Approved
0.5913 Remote Similarity NPD6869 Approved
0.5913 Remote Similarity NPD6401 Clinical (unspecified phase)
0.5913 Remote Similarity NPD6650 Approved
0.5913 Remote Similarity NPD6617 Approved
0.5913 Remote Similarity NPD8130 Phase 1
0.5913 Remote Similarity NPD6847 Approved
0.5909 Remote Similarity NPD5211 Phase 2
0.5902 Remote Similarity NPD7122 Discontinued
0.59 Remote Similarity NPD3668 Phase 3
0.5877 Remote Similarity NPD6013 Approved
0.5877 Remote Similarity NPD6012 Approved
0.5877 Remote Similarity NPD6014 Approved
0.5872 Remote Similarity NPD4700 Approved
0.5872 Remote Similarity NPD5285 Approved
0.5872 Remote Similarity NPD5286 Approved
0.5872 Remote Similarity NPD4696 Approved
0.5868 Remote Similarity NPD6016 Approved
0.5868 Remote Similarity NPD6015 Approved
0.5865 Remote Similarity NPD5692 Phase 3
0.5862 Remote Similarity NPD8297 Approved
0.5862 Remote Similarity NPD368 Approved
0.5859 Remote Similarity NPD6435 Approved
0.5859 Remote Similarity NPD4270 Approved
0.5859 Remote Similarity NPD4269 Approved
0.5854 Remote Similarity NPD7492 Approved

Structure

External Identifiers

PubChem CID   6480206
ChEMBL   CHEMBL484427
ZINC  

Physicochemical Properties

Molecular Weight:  370.29
ALogP:  2.0632
MLogP:  3.99
XLogP:  7.572
# Rotatable Bonds:  6
Polar Surface Area:  29.46
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  5
# Heavy Atoms:  27

Download Data

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