Natural Product: NPC38159

Natural Product ID:  NPC38159
Common Name:   Trichodimerol
IUPAC Name:  
Synonyms:   Trichodimerol
Molecular Formula:   C28H32O8
Standard InCHIKey:  VATYWOIGKMMCMM-OXGNLDDNSA-N
Standard InCHI:  InChI=1S/C28H32O8/c1-7-9-11-13-15(29)17-19-23(3)22(32)18(16(30)14-12-10-8-2)20-24(4,21(17)31)28(34)25(19,5)35-27(23,33)26(20,6)36-28/h7-14,19-20,31-34H,1-6H3/b9-7+,10-8+,13-11+,14-12+/t19-,20-,23-,24-,25+,26+,27-,28-/m1/s1
Canonical SMILES:  C/C=C/C=C/C(=O)C1=C(O)[C@@]2(C)[C@H]3C(=C([C@]4([C@@H]1[C@]1([C@]2(O)O[C@@]3([C@@]4(O1)O)C)C)C)O)C(=O)/C=C/C=C/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
NPO30770 Penicillium sp. Species Aspergillaceae Eukaryota Limonium tubiflorum PMID[21146414]
NPO16076 Penicillium chrysogenum Species Aspergillaceae Eukaryota PMID[8626236]
NPO28966 Trichoderma longibrachiatum Species Hypocreaceae Eukaryota Can. J. Chem.,1992,70(10): 2526

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT471 Organism Trypanosoma brucei brucei Trypanosoma brucei brucei MIC = 6290 nM 21146414
NPT111 Cell Line K562 Homo sapiens IC50 = 74400 nM 21146414
NPT15 Cell Line Jurkat Homo sapiens IC50 = 28500 nM 21146414
NPT466 Cell Line U-937 Homo sapiens IC50 = 16500 nM 21146414
NPT2 Others Unspecified IC50 = 47800 nM 21146414

  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 NPC38159 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
0.7913 Intermediate Similarity NPC471204
0.7881 Intermediate Similarity NPC469488
0.7845 Intermediate Similarity NPC247069
0.7815 Intermediate Similarity NPC48692
0.7807 Intermediate Similarity NPC474567
0.7805 Intermediate Similarity NPC473888
0.7797 Intermediate Similarity NPC204552
0.7797 Intermediate Similarity NPC188667
0.7788 Intermediate Similarity NPC272576
0.7788 Intermediate Similarity NPC473288
0.7787 Intermediate Similarity NPC181999
0.7778 Intermediate Similarity NPC328374
0.7778 Intermediate Similarity NPC40632
0.7778 Intermediate Similarity NPC235539
0.7778 Intermediate Similarity NPC96312
0.7778 Intermediate Similarity NPC251236
0.7778 Intermediate Similarity NPC152199
0.7778 Intermediate Similarity NPC134869
0.776 Intermediate Similarity NPC102316
0.7759 Intermediate Similarity NPC49451
0.775 Intermediate Similarity NPC102822
0.775 Intermediate Similarity NPC477046
0.7742 Intermediate Similarity NPC264192
0.7712 Intermediate Similarity NPC122033
0.7712 Intermediate Similarity NPC470854
0.7712 Intermediate Similarity NPC97908
0.7712 Intermediate Similarity NPC27999
0.7712 Intermediate Similarity NPC477116
0.7712 Intermediate Similarity NPC287343
0.7712 Intermediate Similarity NPC474654
0.7692 Intermediate Similarity NPC18547
0.7692 Intermediate Similarity NPC474906
0.7692 Intermediate Similarity NPC473798
0.7672 Intermediate Similarity NPC11252
0.7672 Intermediate Similarity NPC289312
0.7667 Intermediate Similarity NPC112038
0.7652 Intermediate Similarity NPC210005
0.7647 Intermediate Similarity NPC234522
0.7647 Intermediate Similarity NPC297179
0.7642 Intermediate Similarity NPC93368
0.7642 Intermediate Similarity NPC225049
0.7627 Intermediate Similarity NPC302471
0.7627 Intermediate Similarity NPC207217
0.7619 Intermediate Similarity NPC100390
0.7619 Intermediate Similarity NPC254614
0.7611 Intermediate Similarity NPC471332
0.7611 Intermediate Similarity NPC471333
0.7607 Intermediate Similarity NPC255017
0.7589 Intermediate Similarity NPC474575
0.7586 Intermediate Similarity NPC201992
0.7586 Intermediate Similarity NPC188738
0.7586 Intermediate Similarity NPC471243
0.7583 Intermediate Similarity NPC475775
0.7583 Intermediate Similarity NPC470777
0.7583 Intermediate Similarity NPC476529
0.7581 Intermediate Similarity NPC305496
0.7563 Intermediate Similarity NPC473968
0.7559 Intermediate Similarity NPC168879
0.7545 Intermediate Similarity NPC70733
0.7545 Intermediate Similarity NPC56071
0.7544 Intermediate Similarity NPC293512
0.7542 Intermediate Similarity NPC471398
0.754 Intermediate Similarity NPC251564
0.754 Intermediate Similarity NPC475606
0.754 Intermediate Similarity NPC477189
0.754 Intermediate Similarity NPC475314
0.7523 Intermediate Similarity NPC256230
0.7522 Intermediate Similarity NPC65523
0.7521 Intermediate Similarity NPC107338
0.7521 Intermediate Similarity NPC174836
0.7521 Intermediate Similarity NPC241192
0.7521 Intermediate Similarity NPC90769
0.7521 Intermediate Similarity NPC474516
0.7521 Intermediate Similarity NPC472002
0.7521 Intermediate Similarity NPC109607
0.7519 Intermediate Similarity NPC243014
0.75 Intermediate Similarity NPC176005
0.75 Intermediate Similarity NPC17772
0.75 Intermediate Similarity NPC106644
0.75 Intermediate Similarity NPC242486
0.75 Intermediate Similarity NPC15215
0.75 Intermediate Similarity NPC5284
0.748 Intermediate Similarity NPC474508
0.748 Intermediate Similarity NPC33378
0.748 Intermediate Similarity NPC6274
0.748 Intermediate Similarity NPC473485
0.748 Intermediate Similarity NPC227397
0.748 Intermediate Similarity NPC254146
0.7478 Intermediate Similarity NPC258323
0.7478 Intermediate Similarity NPC94942
0.7459 Intermediate Similarity NPC202051
0.7459 Intermediate Similarity NPC42675
0.7458 Intermediate Similarity NPC7921
0.7458 Intermediate Similarity NPC293038
0.7458 Intermediate Similarity NPC320118
0.7458 Intermediate Similarity NPC51978
0.7458 Intermediate Similarity NPC178981
0.7458 Intermediate Similarity NPC194273
0.7458 Intermediate Similarity NPC469454
0.7458 Intermediate Similarity NPC471627
0.7458 Intermediate Similarity NPC311592
0.7458 Intermediate Similarity NPC208998
0.7458 Intermediate Similarity NPC469496
0.7458 Intermediate Similarity NPC75167
0.7458 Intermediate Similarity NPC469463
0.7458 Intermediate Similarity NPC62696
0.7458 Intermediate Similarity NPC471173
0.7456 Intermediate Similarity NPC96377
0.7456 Intermediate Similarity NPC102352
0.7455 Intermediate Similarity NPC278506
0.744 Intermediate Similarity NPC152091
0.7438 Intermediate Similarity NPC279143
0.7438 Intermediate Similarity NPC161065
0.7438 Intermediate Similarity NPC268958
0.7438 Intermediate Similarity NPC473920
0.7436 Intermediate Similarity NPC304180
0.7436 Intermediate Similarity NPC474229
0.7436 Intermediate Similarity NPC179798
0.7431 Intermediate Similarity NPC108141
0.7419 Intermediate Similarity NPC190846
0.7419 Intermediate Similarity NPC277191
0.7419 Intermediate Similarity NPC24651
0.7419 Intermediate Similarity NPC470922
0.7417 Intermediate Similarity NPC218970
0.7417 Intermediate Similarity NPC23046
0.7414 Intermediate Similarity NPC300026
0.7411 Intermediate Similarity NPC477871
0.7411 Intermediate Similarity NPC477870
0.7411 Intermediate Similarity NPC476213
0.7411 Intermediate Similarity NPC476246
0.7411 Intermediate Similarity NPC181645
0.7411 Intermediate Similarity NPC9878
0.7398 Intermediate Similarity NPC222688
0.7395 Intermediate Similarity NPC181145
0.7395 Intermediate Similarity NPC102088
0.7395 Intermediate Similarity NPC117712
0.7395 Intermediate Similarity NPC243354
0.7391 Intermediate Similarity NPC59530
0.7391 Intermediate Similarity NPC3316
0.7391 Intermediate Similarity NPC144854
0.7381 Intermediate Similarity NPC473620
0.7381 Intermediate Similarity NPC188291
0.7377 Intermediate Similarity NPC478051
0.7377 Intermediate Similarity NPC474585
0.7373 Intermediate Similarity NPC269530
0.7373 Intermediate Similarity NPC234042
0.7373 Intermediate Similarity NPC205534
0.7373 Intermediate Similarity NPC152117
0.7368 Intermediate Similarity NPC40170
0.7368 Intermediate Similarity NPC255309
0.7364 Intermediate Similarity NPC100017
0.7364 Intermediate Similarity NPC473548
0.7364 Intermediate Similarity NPC475154
0.7364 Intermediate Similarity NPC223356
0.7364 Intermediate Similarity NPC475500
0.7364 Intermediate Similarity NPC471137
0.7364 Intermediate Similarity NPC182266
0.7364 Intermediate Similarity NPC471136
0.736 Intermediate Similarity NPC174367
0.736 Intermediate Similarity NPC47113
0.736 Intermediate Similarity NPC217901
0.7355 Intermediate Similarity NPC284707
0.7355 Intermediate Similarity NPC251310
0.7355 Intermediate Similarity NPC318751
0.735 Intermediate Similarity NPC127153
0.735 Intermediate Similarity NPC470065
0.735 Intermediate Similarity NPC286880
0.7345 Intermediate Similarity NPC476126
0.7345 Intermediate Similarity NPC476235
0.7345 Intermediate Similarity NPC223834
0.7339 Intermediate Similarity NPC258674
0.7339 Intermediate Similarity NPC41129
0.7339 Intermediate Similarity NPC1980
0.7339 Intermediate Similarity NPC91693
0.7339 Intermediate Similarity NPC238005
0.7339 Intermediate Similarity NPC473979
0.7339 Intermediate Similarity NPC141196
0.7339 Intermediate Similarity NPC18945
0.7339 Intermediate Similarity NPC265557
0.7339 Intermediate Similarity NPC105926
0.7333 Intermediate Similarity NPC16081
0.7333 Intermediate Similarity NPC173686
0.7333 Intermediate Similarity NPC259306
0.7333 Intermediate Similarity NPC179626
0.7333 Intermediate Similarity NPC243981
0.7333 Intermediate Similarity NPC474734
0.7333 Intermediate Similarity NPC470628
0.7333 Intermediate Similarity NPC473126
0.7333 Intermediate Similarity NPC474046
0.7328 Intermediate Similarity NPC192813
0.7328 Intermediate Similarity NPC277017
0.7328 Intermediate Similarity NPC293850
0.7328 Intermediate Similarity NPC168883
0.7328 Intermediate Similarity NPC154608
0.7328 Intermediate Similarity NPC29827
0.7323 Intermediate Similarity NPC231529
0.7323 Intermediate Similarity NPC162495
0.7317 Intermediate Similarity NPC310511
0.7317 Intermediate Similarity NPC275675
0.7311 Intermediate Similarity NPC56448

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC38159 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
0.7377 Intermediate Similarity NPD6054 Approved
0.7258 Intermediate Similarity NPD6370 Approved
0.7177 Intermediate Similarity NPD6016 Approved
0.7177 Intermediate Similarity NPD6015 Approved
0.7143 Intermediate Similarity NPD7492 Approved
0.712 Intermediate Similarity NPD5988 Approved
0.7097 Intermediate Similarity NPD6059 Approved
0.7094 Intermediate Similarity NPD6412 Phase 2
0.7087 Intermediate Similarity NPD6616 Approved
0.7034 Intermediate Similarity NPD6686 Approved
0.7031 Intermediate Similarity NPD7078 Approved
0.7027 Intermediate Similarity NPD5282 Discontinued
0.7 Intermediate Similarity NPD6411 Approved
0.6977 Remote Similarity NPD7736 Approved
0.696 Remote Similarity NPD6319 Approved
0.6942 Remote Similarity NPD8297 Approved
0.6942 Remote Similarity NPD6882 Approved
0.6929 Remote Similarity NPD8328 Phase 3
0.6905 Remote Similarity NPD8515 Approved
0.6905 Remote Similarity NPD8513 Phase 3
0.6905 Remote Similarity NPD8516 Approved
0.6905 Remote Similarity NPD8517 Approved
0.6885 Remote Similarity NPD4632 Approved
0.6864 Remote Similarity NPD6008 Approved
0.686 Remote Similarity NPD6650 Approved
0.686 Remote Similarity NPD6649 Approved
0.6855 Remote Similarity NPD6009 Approved
0.6847 Remote Similarity NPD5284 Approved
0.6847 Remote Similarity NPD5281 Approved
0.6833 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6822 Remote Similarity NPD7507 Approved
0.6818 Remote Similarity NPD7260 Phase 2
0.6818 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6818 Remote Similarity NPD6101 Approved
0.6794 Remote Similarity NPD7319 Approved
0.6789 Remote Similarity NPD3573 Approved
0.6769 Remote Similarity NPD8293 Discontinued
0.6757 Remote Similarity NPD5207 Approved
0.675 Remote Similarity NPD6899 Approved
0.675 Remote Similarity NPD5345 Clinical (unspecified phase)
0.675 Remote Similarity NPD6881 Approved
0.6694 Remote Similarity NPD6372 Approved
0.6694 Remote Similarity NPD6373 Approved
0.6667 Remote Similarity NPD5697 Approved
0.6642 Remote Similarity NPD6845 Suspended
0.6641 Remote Similarity NPD7503 Approved
0.6641 Remote Similarity NPD8074 Phase 3
0.6639 Remote Similarity NPD7102 Approved
0.6639 Remote Similarity NPD4634 Approved
0.6639 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6639 Remote Similarity NPD7290 Approved
0.6639 Remote Similarity NPD6883 Approved
0.6637 Remote Similarity NPD5778 Approved
0.6637 Remote Similarity NPD5779 Approved
0.6612 Remote Similarity NPD7320 Approved
0.6604 Remote Similarity NPD4695 Discontinued
0.6591 Remote Similarity NPD6033 Approved
0.6587 Remote Similarity NPD7115 Discovery
0.6587 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6585 Remote Similarity NPD8130 Phase 1
0.6585 Remote Similarity NPD6847 Approved
0.6585 Remote Similarity NPD6869 Approved
0.6585 Remote Similarity NPD6617 Approved
0.6583 Remote Similarity NPD7128 Approved
0.6583 Remote Similarity NPD6402 Approved
0.6583 Remote Similarity NPD6675 Approved
0.6583 Remote Similarity NPD5739 Approved
0.6581 Remote Similarity NPD5285 Approved
0.6581 Remote Similarity NPD5286 Approved
0.6581 Remote Similarity NPD4696 Approved
0.6557 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6557 Remote Similarity NPD6012 Approved
0.6557 Remote Similarity NPD6013 Approved
0.6557 Remote Similarity NPD6014 Approved
0.6549 Remote Similarity NPD6079 Approved
0.6538 Remote Similarity NPD7604 Phase 2
0.6535 Remote Similarity NPD7327 Approved
0.6535 Remote Similarity NPD7328 Approved
0.6518 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6512 Remote Similarity NPD5983 Phase 2
0.6496 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6491 Remote Similarity NPD6399 Phase 3
0.6484 Remote Similarity NPD7516 Approved
0.6475 Remote Similarity NPD6011 Approved
0.6471 Remote Similarity NPD4633 Approved
0.6471 Remote Similarity NPD5225 Approved
0.6471 Remote Similarity NPD5211 Phase 2
0.6471 Remote Similarity NPD5224 Approved
0.6471 Remote Similarity NPD5226 Approved
0.6452 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6439 Remote Similarity NPD6336 Discontinued
0.6429 Remote Similarity NPD4518 Approved
0.6417 Remote Similarity NPD5174 Approved
0.6417 Remote Similarity NPD5175 Approved
0.6412 Remote Similarity NPD6067 Discontinued
0.641 Remote Similarity NPD7902 Approved
0.641 Remote Similarity NPD4755 Approved
0.6406 Remote Similarity NPD7641 Discontinued
0.6404 Remote Similarity NPD7983 Approved
0.6404 Remote Similarity NPD6050 Approved
0.6404 Remote Similarity NPD5694 Approved
0.64 Remote Similarity NPD6053 Discontinued
0.6396 Remote Similarity NPD5280 Approved
0.6396 Remote Similarity NPD5690 Phase 2
0.6396 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6396 Remote Similarity NPD4694 Approved
0.6393 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6393 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6393 Remote Similarity NPD5701 Approved
0.6387 Remote Similarity NPD5223 Approved
0.6379 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6379 Remote Similarity NPD5695 Phase 3
0.6379 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6372 Remote Similarity NPD5328 Approved
0.6364 Remote Similarity NPD5141 Approved
0.6356 Remote Similarity NPD4225 Approved
0.6341 Remote Similarity NPD4730 Approved
0.6341 Remote Similarity NPD4729 Approved
0.6325 Remote Similarity NPD5221 Approved
0.6325 Remote Similarity NPD5222 Approved
0.6325 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6316 Remote Similarity NPD5692 Phase 3
0.6316 Remote Similarity NPD46 Approved
0.6316 Remote Similarity NPD6698 Approved
0.6303 Remote Similarity NPD4700 Approved
0.6303 Remote Similarity NPD6648 Approved
0.6293 Remote Similarity NPD7748 Approved
0.6271 Remote Similarity NPD6083 Phase 2
0.6271 Remote Similarity NPD6084 Phase 2
0.6271 Remote Similarity NPD5173 Approved
0.626 Remote Similarity NPD8033 Approved
0.626 Remote Similarity NPD8335 Approved
0.626 Remote Similarity NPD8296 Approved
0.626 Remote Similarity NPD8380 Approved
0.626 Remote Similarity NPD6921 Approved
0.626 Remote Similarity NPD8378 Approved
0.626 Remote Similarity NPD6291 Clinical (unspecified phase)
0.626 Remote Similarity NPD8379 Approved
0.625 Remote Similarity NPD5279 Phase 3
0.625 Remote Similarity NPD5956 Approved
0.625 Remote Similarity NPD5344 Discontinued
0.625 Remote Similarity NPD3618 Phase 1
0.624 Remote Similarity NPD5250 Approved
0.624 Remote Similarity NPD5247 Approved
0.624 Remote Similarity NPD5248 Approved
0.624 Remote Similarity NPD6371 Approved
0.624 Remote Similarity NPD5249 Phase 3
0.624 Remote Similarity NPD5251 Approved
0.6239 Remote Similarity NPD5210 Approved
0.6239 Remote Similarity NPD4629 Approved
0.6231 Remote Similarity NPD7101 Approved
0.6231 Remote Similarity NPD7100 Approved
0.622 Remote Similarity NPD8133 Approved
0.6218 Remote Similarity NPD5696 Approved
0.619 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6186 Remote Similarity NPD4697 Phase 3
0.6183 Remote Similarity NPD8377 Approved
0.6183 Remote Similarity NPD8294 Approved
0.6182 Remote Similarity NPD4223 Phase 3
0.6182 Remote Similarity NPD4221 Approved
0.6179 Remote Similarity NPD4767 Approved
0.6179 Remote Similarity NPD4768 Approved
0.6174 Remote Similarity NPD4096 Approved
0.6174 Remote Similarity NPD7838 Discovery
0.6161 Remote Similarity NPD5329 Approved
0.6154 Remote Similarity NPD6335 Approved
0.6154 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6154 Remote Similarity NPD7900 Approved
0.6154 Remote Similarity NPD6001 Approved
0.6147 Remote Similarity NPD8259 Clinical (unspecified phase)
0.6124 Remote Similarity NPD6274 Approved
0.6121 Remote Similarity NPD7515 Phase 2
0.6106 Remote Similarity NPD4623 Approved
0.6106 Remote Similarity NPD4519 Discontinued
0.6099 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6098 Remote Similarity NPD8170 Clinical (unspecified phase)
0.6087 Remote Similarity NPD6673 Approved
0.6087 Remote Similarity NPD4753 Phase 2
0.6087 Remote Similarity NPD6080 Approved
0.6087 Remote Similarity NPD6904 Approved
0.6083 Remote Similarity NPD7638 Approved
0.608 Remote Similarity NPD5128 Approved
0.6077 Remote Similarity NPD6317 Approved
0.6071 Remote Similarity NPD4786 Approved
0.6071 Remote Similarity NPD4197 Approved
0.6068 Remote Similarity NPD4202 Approved
0.6063 Remote Similarity NPD5215 Approved
0.6063 Remote Similarity NPD5216 Approved
0.6063 Remote Similarity NPD5217 Approved
0.6053 Remote Similarity NPD7524 Approved
0.605 Remote Similarity NPD7839 Suspended
0.6043 Remote Similarity NPD8338 Approved
0.6036 Remote Similarity NPD3667 Approved
0.6033 Remote Similarity NPD7640 Approved
0.6033 Remote Similarity NPD7639 Approved
0.6031 Remote Similarity NPD6313 Approved
0.6031 Remote Similarity NPD6314 Approved
0.6016 Remote Similarity NPD4754 Approved
0.6 Remote Similarity NPD5737 Approved
0.6 Remote Similarity NPD6903 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL1643641
ZINC  

Physicochemical Properties

Molecular Weight:  496.21
ALogP:  1.0892
MLogP:  3.66
XLogP:  2.294
# Rotatable Bonds:  16
Polar Surface Area:  133.52
# H-Bond Aceptor:  8
# H-Bond Donor:  4
# Rings:  5
# Heavy Atoms:  36

Download Data

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