Natural Product: NPC149047

Natural Product ID:  NPC149047
Common Name:   Polyporusterone G
IUPAC Name:   (2S,3R,5R,9R,10R,13R,14S,17R)-2,3,14-trihydroxy-17-[(2S,3R)-3-hydroxy-6-methyl-5-methylideneheptan-2-yl]-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
Synonyms:   Polyporusterone G
Molecular Formula:   C28H44O5
Standard InCHIKey:  JUHSHQMSDLSJCS-ZYEVRCEJSA-N
Standard InCHI:  InChI=1S/C28H44O5/c1-15(2)16(3)11-22(29)17(4)18-8-10-28(33)20-12-23(30)21-13-24(31)25(32)14-26(21,5)19(20)7-9-27(18,28)6/h12,15,17-19,21-22,24-25,29,31-33H,3,7-11,13-14H2,1-2,4-6H3/t17-,18+,19-,21-,22+,24+,25-,26+,27+,28+/m0/s1
Canonical SMILES:  CC(C(=C)C[C@H]([C@H]([C@H]1CC[C@@]2([C@]1(C)CC[C@H]1C2=CC(=O)[C@H]2[C@]1(C)C[C@H](O)[C@@H](C2)O)O)C)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
NPO17579 Polyporus umbellatus Species Polyporaceae Eukaryota Chem. Pharm. Bull.,1992,40: 143-147
NPO17579 Polyporus umbellatus Species Polyporaceae Eukaryota TCMSP*
NPO17579 Polyporus umbellatus Species Polyporaceae Eukaryota TCMID*
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 = 0.207 nM 18439824
NPT137 Cell Line L1210 Mus musculus IC50 = 10 ug/ml 14987072

  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 NPC149047 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
0.9898 High Similarity NPC475060
0.9898 High Similarity NPC220229
0.9897 High Similarity NPC209502
0.9897 High Similarity NPC204833
0.9798 High Similarity NPC217201
0.9796 High Similarity NPC202167
0.9796 High Similarity NPC260268
0.9796 High Similarity NPC171137
0.9796 High Similarity NPC152695
0.9796 High Similarity NPC97202
0.9796 High Similarity NPC85829
0.9796 High Similarity NPC50692
0.9796 High Similarity NPC319077
0.9796 High Similarity NPC302607
0.9796 High Similarity NPC48733
0.9796 High Similarity NPC150531
0.9796 High Similarity NPC49958
0.9796 High Similarity NPC214264
0.9796 High Similarity NPC296945
0.9796 High Similarity NPC476027
0.97 High Similarity NPC11710
0.9697 High Similarity NPC83744
0.9697 High Similarity NPC477916
0.9691 High Similarity NPC477915
0.96 High Similarity NPC329417
0.9412 High Similarity NPC76084
0.9327 High Similarity NPC73300
0.9327 High Similarity NPC108721
0.9314 High Similarity NPC214644
0.9293 High Similarity NPC473424
0.9286 High Similarity NPC154072
0.9231 High Similarity NPC207251
0.9216 High Similarity NPC65941
0.92 High Similarity NPC191892
0.9143 High Similarity NPC962
0.9143 High Similarity NPC317210
0.9143 High Similarity NPC250109
0.9072 High Similarity NPC271195
0.9057 High Similarity NPC326542
0.902 High Similarity NPC323834
0.902 High Similarity NPC257353
0.8972 High Similarity NPC49492
0.8972 High Similarity NPC266728
0.8932 High Similarity NPC165873
0.8899 High Similarity NPC475041
0.8878 High Similarity NPC200702
0.8835 High Similarity NPC166607
0.8824 High Similarity NPC311612
0.8824 High Similarity NPC247957
0.8824 High Similarity NPC249187
0.8788 High Similarity NPC471463
0.8788 High Similarity NPC249954
0.8776 High Similarity NPC111015
0.8776 High Similarity NPC196227
0.8776 High Similarity NPC472977
0.8776 High Similarity NPC472976
0.8763 High Similarity NPC116726
0.875 High Similarity NPC185
0.8738 High Similarity NPC160843
0.8738 High Similarity NPC72255
0.8725 High Similarity NPC87351
0.8716 High Similarity NPC471854
0.8713 High Similarity NPC110149
0.8713 High Similarity NPC316964
0.87 High Similarity NPC190554
0.8687 High Similarity NPC472932
0.8687 High Similarity NPC259286
0.8687 High Similarity NPC473170
0.8673 High Similarity NPC69454
0.8673 High Similarity NPC109305
0.8661 High Similarity NPC222688
0.8661 High Similarity NPC269642
0.866 High Similarity NPC48010
0.8649 High Similarity NPC109973
0.8641 High Similarity NPC55872
0.8614 High Similarity NPC103051
0.86 High Similarity NPC49371
0.86 High Similarity NPC117133
0.8586 High Similarity NPC245972
0.8586 High Similarity NPC8993
0.8586 High Similarity NPC196485
0.8571 High Similarity NPC63748
0.8571 High Similarity NPC233116
0.8571 High Similarity NPC473998
0.8571 High Similarity NPC475806
0.8558 High Similarity NPC75531
0.8558 High Similarity NPC28656
0.8558 High Similarity NPC149124
0.8557 High Similarity NPC309603
0.8557 High Similarity NPC477943
0.8557 High Similarity NPC473999
0.8557 High Similarity NPC186688
0.8557 High Similarity NPC32830
0.8544 High Similarity NPC204450
0.8544 High Similarity NPC195290
0.8529 High Similarity NPC15390
0.8529 High Similarity NPC83709
0.8519 High Similarity NPC280782
0.8515 High Similarity NPC320306
0.8515 High Similarity NPC474938
0.8515 High Similarity NPC474785
0.8515 High Similarity NPC18509
0.85 High Similarity NPC472485
0.8496 Intermediate Similarity NPC28532
0.8485 Intermediate Similarity NPC474736
0.8485 Intermediate Similarity NPC472930
0.8476 Intermediate Similarity NPC60681
0.8469 Intermediate Similarity NPC136801
0.8468 Intermediate Similarity NPC257457
0.8468 Intermediate Similarity NPC311554
0.8462 Intermediate Similarity NPC26478
0.8462 Intermediate Similarity NPC236390
0.8462 Intermediate Similarity NPC117185
0.8462 Intermediate Similarity NPC111323
0.8455 Intermediate Similarity NPC196931
0.8454 Intermediate Similarity NPC328539
0.8431 Intermediate Similarity NPC197386
0.8431 Intermediate Similarity NPC114274
0.8431 Intermediate Similarity NPC477854
0.8416 Intermediate Similarity NPC173272
0.8416 Intermediate Similarity NPC477853
0.84 Intermediate Similarity NPC470957
0.84 Intermediate Similarity NPC470958
0.84 Intermediate Similarity NPC292793
0.8396 Intermediate Similarity NPC472925
0.8396 Intermediate Similarity NPC144459
0.8384 Intermediate Similarity NPC168027
0.8384 Intermediate Similarity NPC472978
0.8384 Intermediate Similarity NPC155304
0.8384 Intermediate Similarity NPC185936
0.8381 Intermediate Similarity NPC477812
0.8367 Intermediate Similarity NPC31985
0.8367 Intermediate Similarity NPC472973
0.8367 Intermediate Similarity NPC1015
0.8367 Intermediate Similarity NPC2983
0.8367 Intermediate Similarity NPC86319
0.8367 Intermediate Similarity NPC275740
0.8365 Intermediate Similarity NPC234892
0.8365 Intermediate Similarity NPC185530
0.8365 Intermediate Similarity NPC293753
0.8365 Intermediate Similarity NPC136289
0.8351 Intermediate Similarity NPC475740
0.835 Intermediate Similarity NPC327431
0.835 Intermediate Similarity NPC144956
0.835 Intermediate Similarity NPC474720
0.835 Intermediate Similarity NPC218383
0.8333 Intermediate Similarity NPC161147
0.8333 Intermediate Similarity NPC108078
0.8333 Intermediate Similarity NPC235077
0.8318 Intermediate Similarity NPC177064
0.8317 Intermediate Similarity NPC53565
0.8317 Intermediate Similarity NPC472824
0.8317 Intermediate Similarity NPC174948
0.8317 Intermediate Similarity NPC48330
0.8317 Intermediate Similarity NPC297199
0.8317 Intermediate Similarity NPC318282
0.8317 Intermediate Similarity NPC173875
0.8317 Intermediate Similarity NPC469995
0.8304 Intermediate Similarity NPC329736
0.83 Intermediate Similarity NPC472496
0.8288 Intermediate Similarity NPC148458
0.8286 Intermediate Similarity NPC251017
0.8283 Intermediate Similarity NPC473099
0.8283 Intermediate Similarity NPC100313
0.8283 Intermediate Similarity NPC320026
0.8269 Intermediate Similarity NPC476897
0.8269 Intermediate Similarity NPC472924
0.8269 Intermediate Similarity NPC302537
0.8269 Intermediate Similarity NPC163372
0.8269 Intermediate Similarity NPC81530
0.8265 Intermediate Similarity NPC143767
0.8265 Intermediate Similarity NPC474668
0.8265 Intermediate Similarity NPC193360
0.8265 Intermediate Similarity NPC471722
0.8265 Intermediate Similarity NPC131470
0.8261 Intermediate Similarity NPC473979
0.8257 Intermediate Similarity NPC472928
0.8252 Intermediate Similarity NPC10364
0.8247 Intermediate Similarity NPC474732
0.8247 Intermediate Similarity NPC474778
0.8247 Intermediate Similarity NPC474733
0.8247 Intermediate Similarity NPC472985
0.8247 Intermediate Similarity NPC469994
0.8247 Intermediate Similarity NPC472986
0.8247 Intermediate Similarity NPC31564
0.8247 Intermediate Similarity NPC145879
0.8235 Intermediate Similarity NPC95565
0.8235 Intermediate Similarity NPC192428
0.8235 Intermediate Similarity NPC328371
0.823 Intermediate Similarity NPC473270
0.823 Intermediate Similarity NPC61520
0.8224 Intermediate Similarity NPC43285
0.8224 Intermediate Similarity NPC58370
0.8224 Intermediate Similarity NPC230541
0.8218 Intermediate Similarity NPC279410
0.8218 Intermediate Similarity NPC119562
0.8218 Intermediate Similarity NPC166906
0.8218 Intermediate Similarity NPC280804
0.8218 Intermediate Similarity NPC474690
0.8218 Intermediate Similarity NPC299100

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC149047 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
0.8557 High Similarity NPD5328 Approved
0.8544 High Similarity NPD5211 Phase 2
0.8515 High Similarity NPD4755 Approved
0.8384 Intermediate Similarity NPD6079 Approved
0.8381 Intermediate Similarity NPD5141 Approved
0.835 Intermediate Similarity NPD5286 Approved
0.835 Intermediate Similarity NPD4696 Approved
0.835 Intermediate Similarity NPD4700 Approved
0.835 Intermediate Similarity NPD5285 Approved
0.8333 Intermediate Similarity NPD4634 Approved
0.83 Intermediate Similarity NPD4202 Approved
0.8269 Intermediate Similarity NPD5223 Approved
0.8247 Intermediate Similarity NPD3618 Phase 1
0.8235 Intermediate Similarity NPD4697 Phase 3
0.819 Intermediate Similarity NPD5224 Approved
0.819 Intermediate Similarity NPD4633 Approved
0.819 Intermediate Similarity NPD5226 Approved
0.819 Intermediate Similarity NPD5225 Approved
0.8131 Intermediate Similarity NPD7128 Approved
0.8131 Intermediate Similarity NPD5739 Approved
0.8131 Intermediate Similarity NPD6675 Approved
0.8131 Intermediate Similarity NPD6402 Approved
0.8113 Intermediate Similarity NPD4754 Approved
0.8113 Intermediate Similarity NPD5175 Approved
0.8113 Intermediate Similarity NPD5174 Approved
0.8108 Intermediate Similarity NPD4632 Approved
0.8073 Intermediate Similarity NPD6372 Approved
0.8073 Intermediate Similarity NPD6373 Approved
0.8058 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.8058 Intermediate Similarity NPD5221 Approved
0.8058 Intermediate Similarity NPD5222 Approved
0.8041 Intermediate Similarity NPD4786 Approved
0.8041 Intermediate Similarity NPD3133 Approved
0.8041 Intermediate Similarity NPD3666 Approved
0.8041 Intermediate Similarity NPD3665 Phase 1
0.8 Intermediate Similarity NPD4753 Phase 2
0.7982 Intermediate Similarity NPD6881 Approved
0.7982 Intermediate Similarity NPD6899 Approved
0.7982 Intermediate Similarity NPD7320 Approved
0.7981 Intermediate Similarity NPD5173 Approved
0.7963 Intermediate Similarity NPD4767 Approved
0.7963 Intermediate Similarity NPD6008 Approved
0.7963 Intermediate Similarity NPD4768 Approved
0.7928 Intermediate Similarity NPD6649 Approved
0.7928 Intermediate Similarity NPD6650 Approved
0.7895 Intermediate Similarity NPD7115 Discovery
0.789 Intermediate Similarity NPD5701 Approved
0.789 Intermediate Similarity NPD5697 Approved
0.7857 Intermediate Similarity NPD8297 Approved
0.7838 Intermediate Similarity NPD7290 Approved
0.7838 Intermediate Similarity NPD7102 Approved
0.7838 Intermediate Similarity NPD6883 Approved
0.7835 Intermediate Similarity NPD4221 Approved
0.7835 Intermediate Similarity NPD3667 Approved
0.7835 Intermediate Similarity NPD4223 Phase 3
0.783 Intermediate Similarity NPD7639 Approved
0.783 Intermediate Similarity NPD7640 Approved
0.7818 Intermediate Similarity NPD4730 Approved
0.7818 Intermediate Similarity NPD5128 Approved
0.7818 Intermediate Similarity NPD6011 Approved
0.7818 Intermediate Similarity NPD4729 Approved
0.7788 Intermediate Similarity NPD5210 Approved
0.7788 Intermediate Similarity NPD4629 Approved
0.7778 Intermediate Similarity NPD5329 Approved
0.7768 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7768 Intermediate Similarity NPD6869 Approved
0.7768 Intermediate Similarity NPD6847 Approved
0.7768 Intermediate Similarity NPD6617 Approved
0.7768 Intermediate Similarity NPD8130 Phase 1
0.7748 Intermediate Similarity NPD6013 Approved
0.7748 Intermediate Similarity NPD6012 Approved
0.7748 Intermediate Similarity NPD6014 Approved
0.7739 Intermediate Similarity NPD6009 Approved
0.7736 Intermediate Similarity NPD7638 Approved
0.77 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7699 Intermediate Similarity NPD6882 Approved
0.7692 Intermediate Similarity NPD6054 Approved
0.7692 Intermediate Similarity NPD6059 Approved
0.7692 Intermediate Similarity NPD6319 Approved
0.7679 Intermediate Similarity NPD5250 Approved
0.7679 Intermediate Similarity NPD5134 Clinical (unspecified phase)
0.7679 Intermediate Similarity NPD5249 Phase 3
0.7679 Intermediate Similarity NPD5247 Approved
0.7679 Intermediate Similarity NPD5248 Approved
0.7679 Intermediate Similarity NPD5135 Approved
0.7679 Intermediate Similarity NPD5169 Approved
0.7679 Intermediate Similarity NPD5251 Approved
0.7677 Intermediate Similarity NPD4197 Approved
0.7642 Intermediate Similarity NPD6083 Phase 2
0.7642 Intermediate Similarity NPD6084 Phase 2
0.7624 Intermediate Similarity NPD4751 Clinical (unspecified phase)
0.7611 Intermediate Similarity NPD5217 Approved
0.7611 Intermediate Similarity NPD5215 Approved
0.7611 Intermediate Similarity NPD5216 Approved
0.7611 Intermediate Similarity NPD5127 Approved
0.7596 Intermediate Similarity NPD6399 Phase 3
0.7568 Intermediate Similarity NPD6412 Phase 2
0.7563 Intermediate Similarity NPD6370 Approved
0.7525 Intermediate Similarity NPD5205 Approved
0.7525 Intermediate Similarity NPD4689 Approved
0.7525 Intermediate Similarity NPD4690 Approved
0.7525 Intermediate Similarity NPD4688 Approved
0.7525 Intermediate Similarity NPD4693 Phase 3
0.7525 Intermediate Similarity NPD4138 Approved
0.7521 Intermediate Similarity NPD7507 Approved
0.75 Intermediate Similarity NPD7515 Phase 2
0.75 Intermediate Similarity NPD7604 Phase 2
0.7479 Intermediate Similarity NPD6016 Approved
0.7479 Intermediate Similarity NPD6015 Approved
0.7479 Intermediate Similarity NPD5983 Phase 2
0.7453 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7438 Intermediate Similarity NPD7492 Approved
0.7417 Intermediate Similarity NPD5988 Approved
0.7414 Intermediate Similarity NPD5167 Approved
0.7407 Intermediate Similarity NPD5696 Approved
0.74 Intermediate Similarity NPD4788 Approved
0.7377 Intermediate Similarity NPD6336 Discontinued
0.7377 Intermediate Similarity NPD6616 Approved
0.7373 Intermediate Similarity NPD6335 Approved
0.7353 Intermediate Similarity NPD5690 Phase 2
0.7353 Intermediate Similarity NPD6684 Approved
0.7353 Intermediate Similarity NPD5330 Approved
0.7353 Intermediate Similarity NPD7521 Approved
0.7353 Intermediate Similarity NPD7334 Approved
0.7353 Intermediate Similarity NPD5280 Approved
0.7353 Intermediate Similarity NPD5279 Phase 3
0.7353 Intermediate Similarity NPD6409 Approved
0.7353 Intermediate Similarity NPD7146 Approved
0.7353 Intermediate Similarity NPD4694 Approved
0.735 Intermediate Similarity NPD6274 Approved
0.7345 Intermediate Similarity NPD5168 Approved
0.7339 Intermediate Similarity NPD7319 Approved
0.7333 Intermediate Similarity NPD5284 Approved
0.7333 Intermediate Similarity NPD5281 Approved
0.7327 Intermediate Similarity NPD3668 Phase 3
0.7317 Intermediate Similarity NPD7078 Approved
0.7317 Intermediate Similarity NPD8293 Discontinued
0.7311 Intermediate Similarity NPD7100 Approved
0.7311 Intermediate Similarity NPD7101 Approved
0.729 Intermediate Similarity NPD5695 Phase 3
0.7288 Intermediate Similarity NPD6317 Approved
0.7273 Intermediate Similarity NPD7525 Registered
0.7258 Intermediate Similarity NPD7736 Approved
0.7258 Intermediate Similarity NPD6033 Approved
0.7241 Intermediate Similarity NPD6053 Discontinued
0.7227 Intermediate Similarity NPD6313 Approved
0.7227 Intermediate Similarity NPD6314 Approved
0.7216 Intermediate Similarity NPD3701 Clinical (unspecified phase)
0.7212 Intermediate Similarity NPD6903 Approved
0.7212 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7207 Intermediate Similarity NPD7632 Discontinued
0.7196 Intermediate Similarity NPD7748 Approved
0.719 Intermediate Similarity NPD6908 Approved
0.719 Intermediate Similarity NPD6291 Clinical (unspecified phase)
0.719 Intermediate Similarity NPD6909 Approved
0.7184 Intermediate Similarity NPD4519 Discontinued
0.7184 Intermediate Similarity NPD4623 Approved
0.7172 Intermediate Similarity NPD4195 Approved
0.7156 Intermediate Similarity NPD7902 Approved
0.7143 Intermediate Similarity NPD6673 Approved
0.7143 Intermediate Similarity NPD6904 Approved
0.7143 Intermediate Similarity NPD6080 Approved
0.713 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7115 Intermediate Similarity NPD7524 Approved
0.7113 Intermediate Similarity NPD7339 Approved
0.7113 Intermediate Similarity NPD6942 Approved
0.7091 Intermediate Similarity NPD4225 Approved
0.7087 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD6868 Approved
0.7048 Intermediate Similarity NPD6672 Approved
0.7048 Intermediate Similarity NPD5737 Approved
0.7037 Intermediate Similarity NPD6001 Approved
0.7025 Intermediate Similarity NPD4522 Approved
0.7025 Intermediate Similarity NPD7516 Approved
0.7009 Intermediate Similarity NPD5693 Phase 1
0.6942 Remote Similarity NPD7328 Approved
0.6942 Remote Similarity NPD7327 Approved
0.6939 Remote Similarity NPD3703 Phase 2
0.6935 Remote Similarity NPD6067 Discontinued
0.6931 Remote Similarity NPD4695 Discontinued
0.6931 Remote Similarity NPD6930 Phase 2
0.6931 Remote Similarity NPD6931 Approved
0.6923 Remote Similarity NPD5363 Approved
0.6923 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6916 Remote Similarity NPD4096 Approved
0.6916 Remote Similarity NPD5785 Approved
0.6911 Remote Similarity NPD8033 Approved
0.6903 Remote Similarity NPD5091 Approved
0.69 Remote Similarity NPD3617 Approved
0.6897 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6893 Remote Similarity NPD6695 Phase 3
0.6887 Remote Similarity NPD4518 Approved
0.6887 Remote Similarity NPD5208 Approved
0.6881 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6881 Remote Similarity NPD7900 Approved
0.6869 Remote Similarity NPD6933 Approved
0.6863 Remote Similarity NPD4692 Approved
0.6863 Remote Similarity NPD4139 Approved
0.6857 Remote Similarity NPD5786 Approved
0.6857 Remote Similarity NPD6098 Approved

Structure

External Identifiers

PubChem CID   44449940
ChEMBL   CHEMBL409505
ZINC  

Physicochemical Properties

Molecular Weight:  460.32
ALogP:  0.2867
MLogP:  3.99
XLogP:  3.089
# Rotatable Bonds:  14
Polar Surface Area:  97.99
# H-Bond Aceptor:  5
# H-Bond Donor:  4
# Rings:  4
# Heavy Atoms:  33

Download Data

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