Natural Product: NPC326542

Natural Product ID:  NPC326542
Common Name:   Polyporoid A
IUPAC Name:  
Synonyms:  
Molecular Formula:   C28H44O7
Standard InCHIKey:  WLJSJUHWAWNUMY-TWQLGMOSSA-N
Standard InCHI:  InChI=1S/C28H44O7/c1-13(2)14(3)22(32)24-27(6,33)23-21(35-24)12-28(34)16-9-18(29)17-10-19(30)20(31)11-25(17,4)15(16)7-8-26(23,28)5/h9,13-15,17,19-24,30-34H,7-8,10-12H2,1-6H3/t14?,15-,17-,19+,20-,21-,22-,23-,24-,25+,26+,27+,28+/m0/s1
Canonical SMILES:  CC(C([C@@H]([C@@H]1O[C@@H]2[C@H]([C@@]1(C)O)[C@@]1([C@](C2)(O)C2=CC(=O)[C@H]3[C@]([C@H]2CC1)(C)C[C@@H]([C@@H](C3)O)O)C)O)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
NPO17579 Polyporus umbellatus Species Polyporaceae Eukaryota TCM_Taiwan*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT32 Organism Mus musculus Mus musculus ID50 = 0.531 nM 18439824

  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 NPC326542 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
0.981 High Similarity NPC207251
0.9533 High Similarity NPC317210
0.9429 High Similarity NPC329417
0.9358 High Similarity NPC49492
0.9358 High Similarity NPC266728
0.9333 High Similarity NPC83744
0.9252 High Similarity NPC76084
0.9238 High Similarity NPC48733
0.9238 High Similarity NPC302607
0.9238 High Similarity NPC152695
0.9238 High Similarity NPC319077
0.9238 High Similarity NPC202167
0.9238 High Similarity NPC85829
0.9238 High Similarity NPC171137
0.9238 High Similarity NPC260268
0.9238 High Similarity NPC214264
0.9238 High Similarity NPC49958
0.9238 High Similarity NPC97202
0.9238 High Similarity NPC476027
0.9238 High Similarity NPC296945
0.9238 High Similarity NPC150531
0.9238 High Similarity NPC50692
0.9174 High Similarity NPC250109
0.9174 High Similarity NPC962
0.9151 High Similarity NPC477916
0.9151 High Similarity NPC220229
0.9151 High Similarity NPC475060
0.9143 High Similarity NPC209502
0.9143 High Similarity NPC204833
0.9065 High Similarity NPC217201
0.9057 High Similarity NPC149047
0.9035 High Similarity NPC222688
0.9027 High Similarity NPC109973
0.8981 High Similarity NPC11710
0.8952 High Similarity NPC477915
0.8938 High Similarity NPC475041
0.887 High Similarity NPC28532
0.8829 High Similarity NPC108721
0.8829 High Similarity NPC73300
0.8762 High Similarity NPC154072
0.8716 High Similarity NPC65941
0.8707 High Similarity NPC269642
0.8661 High Similarity NPC178981
0.8655 High Similarity NPC473888
0.8636 High Similarity NPC214644
0.8611 High Similarity NPC471293
0.8611 High Similarity NPC75531
0.8611 High Similarity NPC149124
0.8571 High Similarity NPC472002
0.8571 High Similarity NPC470882
0.8534 High Similarity NPC474585
0.8519 High Similarity NPC191892
0.8519 High Similarity NPC140723
0.8509 High Similarity NPC196931
0.8496 Intermediate Similarity NPC52634
0.8475 Intermediate Similarity NPC473979
0.8455 Intermediate Similarity NPC59530
0.8455 Intermediate Similarity NPC144459
0.8455 Intermediate Similarity NPC230541
0.8435 Intermediate Similarity NPC218970
0.8435 Intermediate Similarity NPC471854
0.843 Intermediate Similarity NPC231529
0.8426 Intermediate Similarity NPC22388
0.8426 Intermediate Similarity NPC473424
0.8421 Intermediate Similarity NPC117712
0.8417 Intermediate Similarity NPC473265
0.8417 Intermediate Similarity NPC473253
0.8407 Intermediate Similarity NPC280782
0.8407 Intermediate Similarity NPC126691
0.8403 Intermediate Similarity NPC8369
0.839 Intermediate Similarity NPC107493
0.8381 Intermediate Similarity NPC271195
0.8376 Intermediate Similarity NPC79579
0.8364 Intermediate Similarity NPC96377
0.8364 Intermediate Similarity NPC102352
0.8364 Intermediate Similarity NPC257353
0.8364 Intermediate Similarity NPC323834
0.8362 Intermediate Similarity NPC153440
0.8348 Intermediate Similarity NPC106228
0.8348 Intermediate Similarity NPC138372
0.8333 Intermediate Similarity NPC194100
0.8333 Intermediate Similarity NPC293112
0.8333 Intermediate Similarity NPC471401
0.8319 Intermediate Similarity NPC188738
0.8319 Intermediate Similarity NPC469789
0.8305 Intermediate Similarity NPC46570
0.8304 Intermediate Similarity NPC141350
0.8291 Intermediate Similarity NPC305260
0.8291 Intermediate Similarity NPC270850
0.8291 Intermediate Similarity NPC230513
0.8291 Intermediate Similarity NPC61520
0.8291 Intermediate Similarity NPC5292
0.8288 Intermediate Similarity NPC144854
0.8288 Intermediate Similarity NPC3316
0.8288 Intermediate Similarity NPC165873
0.8286 Intermediate Similarity NPC111015
0.8279 Intermediate Similarity NPC470880
0.8276 Intermediate Similarity NPC284068
0.8273 Intermediate Similarity NPC255309
0.8261 Intermediate Similarity NPC178289
0.8261 Intermediate Similarity NPC471398
0.8261 Intermediate Similarity NPC477580
0.825 Intermediate Similarity NPC172154
0.825 Intermediate Similarity NPC81736
0.825 Intermediate Similarity NPC473255
0.8246 Intermediate Similarity NPC269530
0.8241 Intermediate Similarity NPC218383
0.8241 Intermediate Similarity NPC83709
0.823 Intermediate Similarity NPC5284
0.8224 Intermediate Similarity NPC18509
0.8214 Intermediate Similarity NPC258323
0.8214 Intermediate Similarity NPC19412
0.8214 Intermediate Similarity NPC472218
0.8214 Intermediate Similarity NPC154608
0.8214 Intermediate Similarity NPC192813
0.8214 Intermediate Similarity NPC472219
0.8214 Intermediate Similarity NPC472217
0.8214 Intermediate Similarity NPC277017
0.8205 Intermediate Similarity NPC329736
0.8205 Intermediate Similarity NPC311554
0.8205 Intermediate Similarity NPC257457
0.8198 Intermediate Similarity NPC60681
0.8198 Intermediate Similarity NPC166607
0.8197 Intermediate Similarity NPC311534
0.819 Intermediate Similarity NPC96312
0.819 Intermediate Similarity NPC474734
0.819 Intermediate Similarity NPC207217
0.819 Intermediate Similarity NPC251236
0.819 Intermediate Similarity NPC190286
0.819 Intermediate Similarity NPC298278
0.819 Intermediate Similarity NPC179626
0.819 Intermediate Similarity NPC40632
0.819 Intermediate Similarity NPC328374
0.8182 Intermediate Similarity NPC311612
0.8182 Intermediate Similarity NPC174367
0.8182 Intermediate Similarity NPC249187
0.8182 Intermediate Similarity NPC26478
0.8182 Intermediate Similarity NPC247957
0.8182 Intermediate Similarity NPC47113
0.8182 Intermediate Similarity NPC471005
0.8182 Intermediate Similarity NPC117185
0.8174 Intermediate Similarity NPC49451
0.8174 Intermediate Similarity NPC471627
0.8174 Intermediate Similarity NPC260665
0.8174 Intermediate Similarity NPC51978
0.8174 Intermediate Similarity NPC471173
0.8167 Intermediate Similarity NPC11895
0.8167 Intermediate Similarity NPC27363
0.8165 Intermediate Similarity NPC476897
0.8158 Intermediate Similarity NPC474229
0.8158 Intermediate Similarity NPC471243
0.8151 Intermediate Similarity NPC67569
0.8145 Intermediate Similarity NPC471855
0.8142 Intermediate Similarity NPC470257
0.8142 Intermediate Similarity NPC143706
0.8142 Intermediate Similarity NPC87335
0.8142 Intermediate Similarity NPC471400
0.8142 Intermediate Similarity NPC472534
0.8136 Intermediate Similarity NPC42673
0.8136 Intermediate Similarity NPC9674
0.8136 Intermediate Similarity NPC19028
0.8131 Intermediate Similarity NPC49371
0.8131 Intermediate Similarity NPC249954
0.8125 Intermediate Similarity NPC473165
0.8125 Intermediate Similarity NPC185
0.8125 Intermediate Similarity NPC473037
0.8125 Intermediate Similarity NPC220974
0.812 Intermediate Similarity NPC470171
0.812 Intermediate Similarity NPC473968
0.8115 Intermediate Similarity NPC287423
0.8115 Intermediate Similarity NPC305496
0.8113 Intermediate Similarity NPC196227
0.8108 Intermediate Similarity NPC160843
0.8108 Intermediate Similarity NPC121566
0.8108 Intermediate Similarity NPC100955
0.8108 Intermediate Similarity NPC72255
0.8108 Intermediate Similarity NPC28656
0.8103 Intermediate Similarity NPC473798
0.8103 Intermediate Similarity NPC474181
0.8103 Intermediate Similarity NPC243354
0.8099 Intermediate Similarity NPC8374
0.8099 Intermediate Similarity NPC473505
0.8099 Intermediate Similarity NPC476729
0.8091 Intermediate Similarity NPC136289
0.8091 Intermediate Similarity NPC185530
0.8091 Intermediate Similarity NPC70369
0.8091 Intermediate Similarity NPC87351
0.8091 Intermediate Similarity NPC473928
0.8087 Intermediate Similarity NPC234042
0.8087 Intermediate Similarity NPC474516
0.8087 Intermediate Similarity NPC152117
0.8083 Intermediate Similarity NPC23786
0.8083 Intermediate Similarity NPC470265
0.8083 Intermediate Similarity NPC170538
0.8083 Intermediate Similarity NPC65858
0.8083 Intermediate Similarity NPC313528
0.808 Intermediate Similarity NPC88668
0.808 Intermediate Similarity NPC298783
0.808 Intermediate Similarity NPC157817
0.808 Intermediate Similarity NPC225385

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC326542 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
0.8376 Intermediate Similarity NPD6059 Approved
0.8376 Intermediate Similarity NPD6054 Approved
0.8257 Intermediate Similarity NPD5211 Phase 2
0.8235 Intermediate Similarity NPD6370 Approved
0.8224 Intermediate Similarity NPD4755 Approved
0.8214 Intermediate Similarity NPD7320 Approved
0.8198 Intermediate Similarity NPD6402 Approved
0.8198 Intermediate Similarity NPD6008 Approved
0.8198 Intermediate Similarity NPD6675 Approved
0.8198 Intermediate Similarity NPD5739 Approved
0.8198 Intermediate Similarity NPD7128 Approved
0.8174 Intermediate Similarity NPD4632 Approved
0.8151 Intermediate Similarity NPD6016 Approved
0.8151 Intermediate Similarity NPD6015 Approved
0.8142 Intermediate Similarity NPD6372 Approved
0.8142 Intermediate Similarity NPD6373 Approved
0.8108 Intermediate Similarity NPD5141 Approved
0.8099 Intermediate Similarity NPD7492 Approved
0.8087 Intermediate Similarity NPD8297 Approved
0.8083 Intermediate Similarity NPD5988 Approved
0.8073 Intermediate Similarity NPD5285 Approved
0.8073 Intermediate Similarity NPD4700 Approved
0.8073 Intermediate Similarity NPD4696 Approved
0.8073 Intermediate Similarity NPD5286 Approved
0.807 Intermediate Similarity NPD4634 Approved
0.8067 Intermediate Similarity NPD6319 Approved
0.8053 Intermediate Similarity NPD6881 Approved
0.8053 Intermediate Similarity NPD6899 Approved
0.8033 Intermediate Similarity NPD6616 Approved
0.8033 Intermediate Similarity NPD7507 Approved
0.8 Intermediate Similarity NPD6649 Approved
0.8 Intermediate Similarity NPD6650 Approved
0.7967 Intermediate Similarity NPD7078 Approved
0.7967 Intermediate Similarity NPD8293 Discontinued
0.7965 Intermediate Similarity NPD6412 Phase 2
0.7965 Intermediate Similarity NPD5701 Approved
0.7965 Intermediate Similarity NPD5697 Approved
0.7928 Intermediate Similarity NPD5224 Approved
0.7928 Intermediate Similarity NPD5226 Approved
0.7928 Intermediate Similarity NPD5225 Approved
0.7928 Intermediate Similarity NPD4633 Approved
0.7913 Intermediate Similarity NPD7102 Approved
0.7913 Intermediate Similarity NPD6883 Approved
0.7913 Intermediate Similarity NPD7290 Approved
0.7905 Intermediate Similarity NPD5328 Approved
0.7903 Intermediate Similarity NPD7736 Approved
0.7857 Intermediate Similarity NPD5174 Approved
0.7857 Intermediate Similarity NPD5175 Approved
0.785 Intermediate Similarity NPD4202 Approved
0.7845 Intermediate Similarity NPD6847 Approved
0.7845 Intermediate Similarity NPD6617 Approved
0.7845 Intermediate Similarity NPD8130 Phase 1
0.7845 Intermediate Similarity NPD6869 Approved
0.784 Intermediate Similarity NPD7319 Approved
0.7838 Intermediate Similarity NPD5223 Approved
0.7826 Intermediate Similarity NPD6012 Approved
0.7826 Intermediate Similarity NPD6014 Approved
0.7826 Intermediate Similarity NPD6013 Approved
0.7815 Intermediate Similarity NPD6009 Approved
0.7815 Intermediate Similarity NPD7115 Discovery
0.7778 Intermediate Similarity NPD6882 Approved
0.776 Intermediate Similarity NPD6033 Approved
0.7757 Intermediate Similarity NPD6079 Approved
0.7748 Intermediate Similarity NPD7640 Approved
0.7748 Intermediate Similarity NPD7639 Approved
0.7739 Intermediate Similarity NPD6011 Approved
0.7724 Intermediate Similarity NPD7604 Phase 2
0.7719 Intermediate Similarity NPD4767 Approved
0.7719 Intermediate Similarity NPD4768 Approved
0.7705 Intermediate Similarity NPD5983 Phase 2
0.7699 Intermediate Similarity NPD4754 Approved
0.7692 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7658 Intermediate Similarity NPD7638 Approved
0.7636 Intermediate Similarity NPD4697 Phase 3
0.7627 Intermediate Similarity NPD6053 Discontinued
0.7619 Intermediate Similarity NPD3618 Phase 1
0.76 Intermediate Similarity NPD6336 Discontinued
0.7586 Intermediate Similarity NPD4730 Approved
0.7586 Intermediate Similarity NPD5128 Approved
0.7586 Intermediate Similarity NPD4729 Approved
0.757 Intermediate Similarity NPD4753 Phase 2
0.7568 Intermediate Similarity NPD6084 Phase 2
0.7568 Intermediate Similarity NPD6083 Phase 2
0.7545 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7541 Intermediate Similarity NPD7516 Approved
0.7521 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7477 Intermediate Similarity NPD5221 Approved
0.7477 Intermediate Similarity NPD5222 Approved
0.7477 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7459 Intermediate Similarity NPD7328 Approved
0.7459 Intermediate Similarity NPD7327 Approved
0.7458 Intermediate Similarity NPD5249 Phase 3
0.7458 Intermediate Similarity NPD5250 Approved
0.7458 Intermediate Similarity NPD5251 Approved
0.7458 Intermediate Similarity NPD5248 Approved
0.7458 Intermediate Similarity NPD5247 Approved
0.744 Intermediate Similarity NPD6067 Discontinued
0.7438 Intermediate Similarity NPD6274 Approved
0.7429 Intermediate Similarity NPD3665 Phase 1
0.7429 Intermediate Similarity NPD3666 Approved
0.7429 Intermediate Similarity NPD3133 Approved
0.7419 Intermediate Similarity NPD8033 Approved
0.7419 Intermediate Similarity NPD6291 Clinical (unspecified phase)
0.7411 Intermediate Similarity NPD5173 Approved
0.7398 Intermediate Similarity NPD7101 Approved
0.7398 Intermediate Similarity NPD7100 Approved
0.7395 Intermediate Similarity NPD5215 Approved
0.7395 Intermediate Similarity NPD5217 Approved
0.7395 Intermediate Similarity NPD5216 Approved
0.7387 Intermediate Similarity NPD5210 Approved
0.7387 Intermediate Similarity NPD4629 Approved
0.7364 Intermediate Similarity NPD6399 Phase 3
0.7345 Intermediate Similarity NPD5696 Approved
0.7339 Intermediate Similarity NPD8377 Approved
0.7339 Intermediate Similarity NPD8294 Approved
0.7317 Intermediate Similarity NPD6335 Approved
0.7311 Intermediate Similarity NPD5169 Approved
0.7311 Intermediate Similarity NPD5135 Approved
0.7311 Intermediate Similarity NPD5955 Clinical (unspecified phase)
0.7311 Intermediate Similarity NPD5134 Clinical (unspecified phase)
0.7288 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.728 Intermediate Similarity NPD8379 Approved
0.728 Intermediate Similarity NPD6908 Approved
0.728 Intermediate Similarity NPD8335 Approved
0.728 Intermediate Similarity NPD8296 Approved
0.728 Intermediate Similarity NPD6909 Approved
0.728 Intermediate Similarity NPD8378 Approved
0.728 Intermediate Similarity NPD8380 Approved
0.7264 Intermediate Similarity NPD4786 Approved
0.725 Intermediate Similarity NPD5127 Approved
0.7238 Intermediate Similarity NPD4221 Approved
0.7238 Intermediate Similarity NPD4223 Phase 3
0.7236 Intermediate Similarity NPD6317 Approved
0.7232 Intermediate Similarity NPD5695 Phase 3
0.7196 Intermediate Similarity NPD5329 Approved
0.7193 Intermediate Similarity NPD4225 Approved
0.7177 Intermediate Similarity NPD6314 Approved
0.7177 Intermediate Similarity NPD6313 Approved
0.7165 Intermediate Similarity NPD8328 Phase 3
0.7156 Intermediate Similarity NPD6903 Approved
0.7155 Intermediate Similarity NPD7632 Discontinued
0.7143 Intermediate Similarity NPD7503 Approved
0.7143 Intermediate Similarity NPD6001 Approved
0.7143 Intermediate Similarity NPD6686 Approved
0.713 Intermediate Similarity NPD7334 Approved
0.713 Intermediate Similarity NPD5330 Approved
0.713 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.713 Intermediate Similarity NPD6409 Approved
0.713 Intermediate Similarity NPD7146 Approved
0.713 Intermediate Similarity NPD6684 Approved
0.713 Intermediate Similarity NPD7521 Approved
0.7105 Intermediate Similarity NPD7902 Approved
0.7103 Intermediate Similarity NPD4197 Approved
0.7083 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.7075 Intermediate Similarity NPD3667 Approved
0.7073 Intermediate Similarity NPD5167 Approved
0.7064 Intermediate Similarity NPD7524 Approved
0.7059 Intermediate Similarity NPD5954 Clinical (unspecified phase)
0.7025 Intermediate Similarity NPD6371 Approved
0.7 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.6991 Remote Similarity NPD7748 Approved
0.6972 Remote Similarity NPD5205 Approved
0.6972 Remote Similarity NPD4690 Approved
0.6972 Remote Similarity NPD4689 Approved
0.6972 Remote Similarity NPD4688 Approved
0.6972 Remote Similarity NPD4138 Approved
0.6972 Remote Similarity NPD4693 Phase 3
0.697 Remote Similarity NPD5956 Approved
0.6964 Remote Similarity NPD5281 Approved
0.6964 Remote Similarity NPD5284 Approved
0.6964 Remote Similarity NPD7515 Phase 2
0.6937 Remote Similarity NPD6673 Approved
0.6937 Remote Similarity NPD6904 Approved
0.6937 Remote Similarity NPD6080 Approved
0.6909 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6891 Remote Similarity NPD8170 Clinical (unspecified phase)
0.6887 Remote Similarity NPD7525 Registered
0.688 Remote Similarity NPD6868 Approved
0.6875 Remote Similarity NPD5207 Approved
0.686 Remote Similarity NPD5168 Approved
0.6855 Remote Similarity NPD8133 Approved
0.6852 Remote Similarity NPD4788 Approved
0.685 Remote Similarity NPD4522 Approved
0.6847 Remote Similarity NPD5737 Approved
0.6847 Remote Similarity NPD6672 Approved
0.6842 Remote Similarity NPD7900 Approved
0.6842 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6818 Remote Similarity NPD5690 Phase 2
0.6818 Remote Similarity NPD5279 Phase 3
0.6818 Remote Similarity NPD4694 Approved
0.6818 Remote Similarity NPD5280 Approved
0.6814 Remote Similarity NPD8034 Phase 2
0.6814 Remote Similarity NPD5693 Phase 1
0.6814 Remote Similarity NPD8035 Phase 2
0.6789 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6777 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6744 Remote Similarity NPD8513 Phase 3
0.6744 Remote Similarity NPD8517 Approved
0.6744 Remote Similarity NPD8516 Approved
0.6744 Remote Similarity NPD8515 Approved

Structure

External Identifiers

PubChem CID   44450022
ChEMBL   CHEMBL260186
ZINC  

Physicochemical Properties

Molecular Weight:  492.31
ALogP:  -1.1038
MLogP:  3.77
XLogP:  2.065
# Rotatable Bonds:  14
Polar Surface Area:  127.45
# H-Bond Aceptor:  7
# H-Bond Donor:  5
# Rings:  5
# Heavy Atoms:  35

Download Data

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