Natural Product: NPC474802

Natural Product ID:  NPC474802
Common Name:   Hyperibone J
IUPAC Name:  
Synonyms:   Hyperibone J
Molecular Formula:   C31H46O5
Standard InCHIKey:  SBGHJZAAIGGLGH-SPJBSYPASA-N
Standard InCHI:  InChI=1S/C31H46O5/c1-19(2)12-11-16-27(9)23(14-13-20(3)4)18-28(10)25(33)29(17-15-21(5)6)26(34)30(27,24(32)22(7)8)31(28,35)36-29/h12-13,15,22-23,35H,11,14,16-18H2,1-10H3/t23-,27+,28+,29+,30+,31-/m0/s1
Canonical SMILES:  CC(=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]2([C@]3([C@]1(C(=O)C(C)C)C(=O)[C@](O3)(C2=O)CC=C(C)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
NPO11713 Hypericum scabrum Species Hypericaceae Eukaryota Uzbekistan PMID[15568778]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT81 Cell Line A549 Homo sapiens IC50 > 20000 ug/ml 23501116
NPT81 Cell Line A549 Homo sapiens Inhibition = 49 % 18710917
NPT83 Cell Line MCF7 Homo sapiens IC50 = 17800 ug/ml 15646539

  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 NPC474802 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
0.9892 High Similarity NPC472685
0.9892 High Similarity NPC472702
0.8218 Intermediate Similarity NPC46761
0.8113 Intermediate Similarity NPC220705
0.7921 Intermediate Similarity NPC269492
0.783 Intermediate Similarity NPC32006
0.783 Intermediate Similarity NPC85529
0.7727 Intermediate Similarity NPC193948
0.7723 Intermediate Similarity NPC293086
0.7685 Intermediate Similarity NPC469508
0.7629 Intermediate Similarity NPC290329
0.7629 Intermediate Similarity NPC472686
0.7619 Intermediate Similarity NPC323441
0.757 Intermediate Similarity NPC325769
0.7563 Intermediate Similarity NPC188291
0.7544 Intermediate Similarity NPC318751
0.7526 Intermediate Similarity NPC251170
0.7525 Intermediate Similarity NPC327515
0.75 Intermediate Similarity NPC472689
0.75 Intermediate Similarity NPC472690
0.75 Intermediate Similarity NPC477268
0.75 Intermediate Similarity NPC470834
0.75 Intermediate Similarity NPC472645
0.75 Intermediate Similarity NPC477267
0.7478 Intermediate Similarity NPC268958
0.7455 Intermediate Similarity NPC23497
0.7429 Intermediate Similarity NPC153776
0.7429 Intermediate Similarity NPC472730
0.7429 Intermediate Similarity NPC472729
0.7429 Intermediate Similarity NPC177680
0.7426 Intermediate Similarity NPC263977
0.7404 Intermediate Similarity NPC272411
0.7404 Intermediate Similarity NPC223169
0.7391 Intermediate Similarity NPC297179
0.7383 Intermediate Similarity NPC163249
0.7379 Intermediate Similarity NPC477439
0.7368 Intermediate Similarity NPC28319
0.7368 Intermediate Similarity NPC207217
0.7368 Intermediate Similarity NPC270478
0.7364 Intermediate Similarity NPC469845
0.7364 Intermediate Similarity NPC29827
0.7358 Intermediate Similarity NPC472727
0.7358 Intermediate Similarity NPC472728
0.7355 Intermediate Similarity NPC476851
0.7347 Intermediate Similarity NPC469569
0.7339 Intermediate Similarity NPC471332
0.7339 Intermediate Similarity NPC471333
0.7333 Intermediate Similarity NPC273269
0.7308 Intermediate Similarity NPC477438
0.7308 Intermediate Similarity NPC134067
0.7308 Intermediate Similarity NPC477437
0.7295 Intermediate Similarity NPC476852
0.729 Intermediate Similarity NPC472643
0.7282 Intermediate Similarity NPC477435
0.7282 Intermediate Similarity NPC477436
0.7281 Intermediate Similarity NPC247069
0.7264 Intermediate Similarity NPC109059
0.7264 Intermediate Similarity NPC288
0.7248 Intermediate Similarity NPC472228
0.7248 Intermediate Similarity NPC472227
0.7248 Intermediate Similarity NPC13149
0.7248 Intermediate Similarity NPC13385
0.7248 Intermediate Similarity NPC284865
0.7241 Intermediate Similarity NPC17772
0.7241 Intermediate Similarity NPC204552
0.7241 Intermediate Similarity NPC188667
0.7238 Intermediate Similarity NPC472733
0.7238 Intermediate Similarity NPC472734
0.7236 Intermediate Similarity NPC100390
0.7236 Intermediate Similarity NPC254614
0.7236 Intermediate Similarity NPC102316
0.7234 Intermediate Similarity NPC78935
0.7232 Intermediate Similarity NPC473036
0.7232 Intermediate Similarity NPC272898
0.7228 Intermediate Similarity NPC269677
0.7222 Intermediate Similarity NPC470840
0.7217 Intermediate Similarity NPC134869
0.7217 Intermediate Similarity NPC152199
0.7217 Intermediate Similarity NPC235539
0.7216 Intermediate Similarity NPC189237
0.7213 Intermediate Similarity NPC264192
0.7212 Intermediate Similarity NPC212812
0.7212 Intermediate Similarity NPC258674
0.7207 Intermediate Similarity NPC469844
0.7203 Intermediate Similarity NPC477046
0.7203 Intermediate Similarity NPC102822
0.72 Intermediate Similarity NPC6979
0.7196 Intermediate Similarity NPC472972
0.7193 Intermediate Similarity NPC474271
0.7193 Intermediate Similarity NPC326264
0.7193 Intermediate Similarity NPC472929
0.7182 Intermediate Similarity NPC292588
0.7179 Intermediate Similarity NPC472933
0.717 Intermediate Similarity NPC254496
0.717 Intermediate Similarity NPC472732
0.717 Intermediate Similarity NPC285513
0.717 Intermediate Similarity NPC27105
0.717 Intermediate Similarity NPC472731
0.7168 Intermediate Similarity NPC34315
0.7168 Intermediate Similarity NPC38159
0.7158 Intermediate Similarity NPC266124
0.7157 Intermediate Similarity NPC472688
0.7157 Intermediate Similarity NPC472676
0.7156 Intermediate Similarity NPC474330
0.7156 Intermediate Similarity NPC194323
0.7156 Intermediate Similarity NPC320154
0.7156 Intermediate Similarity NPC470839
0.7156 Intermediate Similarity NPC70967
0.7156 Intermediate Similarity NPC90177
0.7156 Intermediate Similarity NPC474207
0.7156 Intermediate Similarity NPC179208
0.7156 Intermediate Similarity NPC33973
0.7156 Intermediate Similarity NPC275583
0.7155 Intermediate Similarity NPC287343
0.7155 Intermediate Similarity NPC27999
0.7155 Intermediate Similarity NPC477116
0.7155 Intermediate Similarity NPC97908
0.7155 Intermediate Similarity NPC472927
0.7155 Intermediate Similarity NPC470854
0.7155 Intermediate Similarity NPC122033
0.7155 Intermediate Similarity NPC474654
0.7143 Intermediate Similarity NPC248574
0.7143 Intermediate Similarity NPC31021
0.7143 Intermediate Similarity NPC316215
0.7131 Intermediate Similarity NPC476859
0.713 Intermediate Similarity NPC115862
0.713 Intermediate Similarity NPC475867
0.713 Intermediate Similarity NPC124211
0.713 Intermediate Similarity NPC18547
0.713 Intermediate Similarity NPC474906
0.713 Intermediate Similarity NPC270155
0.713 Intermediate Similarity NPC117712
0.713 Intermediate Similarity NPC473798
0.7129 Intermediate Similarity NPC171722
0.7129 Intermediate Similarity NPC230016
0.712 Intermediate Similarity NPC15215
0.712 Intermediate Similarity NPC242486
0.7119 Intermediate Similarity NPC472075
0.7119 Intermediate Similarity NPC112038
0.7119 Intermediate Similarity NPC472076
0.7117 Intermediate Similarity NPC144854
0.7117 Intermediate Similarity NPC3316
0.7117 Intermediate Similarity NPC220974
0.7107 Intermediate Similarity NPC225049
0.7105 Intermediate Similarity NPC205534
0.7103 Intermediate Similarity NPC472687
0.7103 Intermediate Similarity NPC164349
0.7103 Intermediate Similarity NPC471330
0.7103 Intermediate Similarity NPC99657
0.7103 Intermediate Similarity NPC471331
0.7103 Intermediate Similarity NPC203388
0.71 Intermediate Similarity NPC79573
0.7097 Intermediate Similarity NPC6274
0.7097 Intermediate Similarity NPC33378
0.7097 Intermediate Similarity NPC254146
0.7094 Intermediate Similarity NPC106644
0.7094 Intermediate Similarity NPC470776
0.7091 Intermediate Similarity NPC216245
0.7091 Intermediate Similarity NPC40170
0.7091 Intermediate Similarity NPC470251
0.7091 Intermediate Similarity NPC96268
0.7091 Intermediate Similarity NPC137657
0.7091 Intermediate Similarity NPC2436
0.7091 Intermediate Similarity NPC135854
0.7083 Intermediate Similarity NPC472077
0.7083 Intermediate Similarity NPC472078
0.708 Intermediate Similarity NPC470065
0.708 Intermediate Similarity NPC163314
0.7075 Intermediate Similarity NPC157113
0.7075 Intermediate Similarity NPC121036
0.7075 Intermediate Similarity NPC472674
0.7075 Intermediate Similarity NPC62516
0.7075 Intermediate Similarity NPC165616
0.7073 Intermediate Similarity NPC476854
0.7071 Intermediate Similarity NPC477373
0.7069 Intermediate Similarity NPC476711
0.7069 Intermediate Similarity NPC328374
0.7069 Intermediate Similarity NPC259306
0.7069 Intermediate Similarity NPC96312
0.7069 Intermediate Similarity NPC470628
0.7069 Intermediate Similarity NPC476710
0.7069 Intermediate Similarity NPC251236
0.7069 Intermediate Similarity NPC40632
0.7069 Intermediate Similarity NPC474046
0.7064 Intermediate Similarity NPC53222
0.7064 Intermediate Similarity NPC136289
0.7064 Intermediate Similarity NPC272472
0.7059 Intermediate Similarity NPC471941
0.7054 Intermediate Similarity NPC277017
0.7054 Intermediate Similarity NPC168883
0.7054 Intermediate Similarity NPC154608
0.7054 Intermediate Similarity NPC192813
0.7048 Intermediate Similarity NPC472224
0.7048 Intermediate Similarity NPC160413
0.7048 Intermediate Similarity NPC469819
0.7048 Intermediate Similarity NPC472223
0.7048 Intermediate Similarity NPC148964
0.7048 Intermediate Similarity NPC114162
0.7048 Intermediate Similarity NPC103527
0.7043 Intermediate Similarity NPC477091

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC474802 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
0.7265 Intermediate Similarity NPD6059 Approved
0.7265 Intermediate Similarity NPD6054 Approved
0.7207 Intermediate Similarity NPD7320 Approved
0.7182 Intermediate Similarity NPD6675 Approved
0.7182 Intermediate Similarity NPD7128 Approved
0.7182 Intermediate Similarity NPD6402 Approved
0.7182 Intermediate Similarity NPD5739 Approved
0.7143 Intermediate Similarity NPD6373 Approved
0.7143 Intermediate Similarity NPD6370 Approved
0.7143 Intermediate Similarity NPD6372 Approved
0.7105 Intermediate Similarity NPD6882 Approved
0.7059 Intermediate Similarity NPD6015 Approved
0.7059 Intermediate Similarity NPD6016 Approved
0.7054 Intermediate Similarity NPD6899 Approved
0.7054 Intermediate Similarity NPD6881 Approved
0.7025 Intermediate Similarity NPD7492 Approved
0.7018 Intermediate Similarity NPD6650 Approved
0.7018 Intermediate Similarity NPD6649 Approved
0.7 Intermediate Similarity NPD5988 Approved
0.6967 Remote Similarity NPD6616 Approved
0.6964 Remote Similarity NPD5701 Approved
0.6964 Remote Similarity NPD5697 Approved
0.6952 Remote Similarity NPD6399 Phase 3
0.6944 Remote Similarity NPD5696 Approved
0.693 Remote Similarity NPD7290 Approved
0.693 Remote Similarity NPD6883 Approved
0.693 Remote Similarity NPD7102 Approved
0.6911 Remote Similarity NPD8293 Discontinued
0.6911 Remote Similarity NPD7078 Approved
0.6903 Remote Similarity NPD6011 Approved
0.6887 Remote Similarity NPD5282 Discontinued
0.687 Remote Similarity NPD6847 Approved
0.687 Remote Similarity NPD6869 Approved
0.687 Remote Similarity NPD8130 Phase 1
0.687 Remote Similarity NPD6617 Approved
0.687 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6863 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6855 Remote Similarity NPD7736 Approved
0.6855 Remote Similarity NPD6033 Approved
0.6852 Remote Similarity NPD4755 Approved
0.6842 Remote Similarity NPD6013 Approved
0.6842 Remote Similarity NPD6014 Approved
0.6842 Remote Similarity NPD6012 Approved
0.681 Remote Similarity NPD8297 Approved
0.6759 Remote Similarity NPD4697 Phase 3
0.6727 Remote Similarity NPD4696 Approved
0.6727 Remote Similarity NPD4700 Approved
0.6727 Remote Similarity NPD5286 Approved
0.6727 Remote Similarity NPD5285 Approved
0.6726 Remote Similarity NPD6008 Approved
0.6699 Remote Similarity NPD6098 Approved
0.6697 Remote Similarity NPD6084 Phase 2
0.6697 Remote Similarity NPD7902 Approved
0.6697 Remote Similarity NPD6083 Phase 2
0.6667 Remote Similarity NPD6080 Approved
0.6667 Remote Similarity NPD5695 Phase 3
0.6667 Remote Similarity NPD6904 Approved
0.6667 Remote Similarity NPD5223 Approved
0.6667 Remote Similarity NPD5328 Approved
0.6667 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6667 Remote Similarity NPD8328 Phase 3
0.6667 Remote Similarity NPD6673 Approved
0.6635 Remote Similarity NPD3573 Approved
0.6609 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6607 Remote Similarity NPD5211 Phase 2
0.6607 Remote Similarity NPD5225 Approved
0.6607 Remote Similarity NPD5226 Approved
0.6607 Remote Similarity NPD5224 Approved
0.6607 Remote Similarity NPD4633 Approved
0.6606 Remote Similarity NPD5221 Approved
0.6606 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6606 Remote Similarity NPD5222 Approved
0.6602 Remote Similarity NPD5329 Approved
0.66 Remote Similarity NPD4695 Discontinued
0.6583 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6583 Remote Similarity NPD6009 Approved
0.6574 Remote Similarity NPD7748 Approved
0.6571 Remote Similarity NPD6672 Approved
0.6571 Remote Similarity NPD5737 Approved
0.6557 Remote Similarity NPD6319 Approved
0.6549 Remote Similarity NPD4754 Approved
0.6549 Remote Similarity NPD5175 Approved
0.6549 Remote Similarity NPD5174 Approved
0.6545 Remote Similarity NPD5173 Approved
0.6542 Remote Similarity NPD6079 Approved
0.6542 Remote Similarity NPD6411 Approved
0.6542 Remote Similarity NPD6050 Approved
0.6538 Remote Similarity NPD3618 Phase 1
0.6529 Remote Similarity NPD6335 Approved
0.6514 Remote Similarity NPD5210 Approved
0.6514 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6514 Remote Similarity NPD4629 Approved
0.6505 Remote Similarity NPD4786 Approved
0.6505 Remote Similarity NPD4197 Approved
0.6504 Remote Similarity NPD6291 Clinical (unspecified phase)
0.65 Remote Similarity NPD6274 Approved
0.6496 Remote Similarity NPD4634 Approved
0.6491 Remote Similarity NPD5141 Approved
0.6475 Remote Similarity NPD7101 Approved
0.6475 Remote Similarity NPD7100 Approved
0.6471 Remote Similarity NPD3667 Approved
0.6449 Remote Similarity NPD5692 Phase 3
0.6446 Remote Similarity NPD6317 Approved
0.6435 Remote Similarity NPD4768 Approved
0.6435 Remote Similarity NPD4767 Approved
0.6422 Remote Similarity NPD6001 Approved
0.6422 Remote Similarity NPD7900 Approved
0.6422 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6393 Remote Similarity NPD6314 Approved
0.6393 Remote Similarity NPD6313 Approved
0.6389 Remote Similarity NPD5693 Phase 1
0.6389 Remote Similarity NPD5284 Approved
0.6389 Remote Similarity NPD7515 Phase 2
0.6389 Remote Similarity NPD5694 Approved
0.6389 Remote Similarity NPD5281 Approved
0.6389 Remote Similarity NPD8035 Phase 2
0.6389 Remote Similarity NPD8034 Phase 2
0.6381 Remote Similarity NPD4694 Approved
0.6381 Remote Similarity NPD5690 Phase 2
0.6381 Remote Similarity NPD5280 Approved
0.6371 Remote Similarity NPD6908 Approved
0.6371 Remote Similarity NPD6909 Approved
0.6364 Remote Similarity NPD6868 Approved
0.6355 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6355 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6355 Remote Similarity NPD4753 Phase 2
0.6355 Remote Similarity NPD6101 Approved
0.6339 Remote Similarity NPD4225 Approved
0.6333 Remote Similarity NPD4632 Approved
0.633 Remote Similarity NPD4202 Approved
0.6325 Remote Similarity NPD4730 Approved
0.6325 Remote Similarity NPD4729 Approved
0.6325 Remote Similarity NPD5128 Approved
0.6311 Remote Similarity NPD4223 Phase 3
0.6311 Remote Similarity NPD4221 Approved
0.6311 Remote Similarity NPD7115 Discovery
0.6311 Remote Similarity NPD4800 Clinical (unspecified phase)
0.6296 Remote Similarity NPD5207 Approved
0.627 Remote Similarity NPD7604 Phase 2
0.624 Remote Similarity NPD5983 Phase 2
0.6239 Remote Similarity NPD6614 Approved
0.6238 Remote Similarity NPD3617 Approved
0.6228 Remote Similarity NPD1700 Approved
0.6218 Remote Similarity NPD5135 Approved
0.6218 Remote Similarity NPD5249 Phase 3
0.6218 Remote Similarity NPD5248 Approved
0.6218 Remote Similarity NPD5250 Approved
0.6218 Remote Similarity NPD5247 Approved
0.6218 Remote Similarity NPD5251 Approved
0.6218 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6218 Remote Similarity NPD5169 Approved
0.6214 Remote Similarity NPD5369 Approved
0.619 Remote Similarity NPD3668 Phase 3
0.6182 Remote Similarity NPD5779 Approved
0.6182 Remote Similarity NPD5778 Approved
0.6174 Remote Similarity NPD5091 Approved
0.6172 Remote Similarity NPD6336 Discontinued
0.6167 Remote Similarity NPD5215 Approved
0.6167 Remote Similarity NPD5216 Approved
0.6167 Remote Similarity NPD5217 Approved
0.6167 Remote Similarity NPD5127 Approved
0.6154 Remote Similarity NPD7319 Approved
0.6117 Remote Similarity NPD7525 Registered
0.6111 Remote Similarity NPD6903 Approved
0.6105 Remote Similarity NPD7331 Phase 2
0.6102 Remote Similarity NPD6412 Phase 2
0.6075 Remote Similarity NPD5279 Phase 3
0.6075 Remote Similarity NPD4690 Approved
0.6075 Remote Similarity NPD5786 Approved
0.6075 Remote Similarity NPD5205 Approved
0.6075 Remote Similarity NPD4688 Approved
0.6075 Remote Similarity NPD6684 Approved
0.6075 Remote Similarity NPD4693 Phase 3
0.6075 Remote Similarity NPD4689 Approved
0.6075 Remote Similarity NPD7521 Approved
0.6075 Remote Similarity NPD5330 Approved
0.6075 Remote Similarity NPD6409 Approved
0.6075 Remote Similarity NPD4623 Approved
0.6075 Remote Similarity NPD4519 Discontinued
0.6075 Remote Similarity NPD4138 Approved
0.6075 Remote Similarity NPD7146 Approved
0.6075 Remote Similarity NPD7334 Approved
0.6071 Remote Similarity NPD5654 Approved
0.6053 Remote Similarity NPD7638 Approved
0.605 Remote Similarity NPD5168 Approved
0.6047 Remote Similarity NPD7507 Approved
0.6038 Remote Similarity NPD3666 Approved
0.6038 Remote Similarity NPD3133 Approved
0.6038 Remote Similarity NPD3665 Phase 1
0.6018 Remote Similarity NPD7614 Phase 1
0.6016 Remote Similarity NPD6067 Discontinued
0.6016 Remote Similarity NPD5167 Approved
0.6 Remote Similarity NPD7341 Phase 2
0.6 Remote Similarity NPD6435 Approved
0.6 Remote Similarity NPD7639 Approved
0.6 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6 Remote Similarity NPD7640 Approved
0.5985 Remote Similarity NPD5956 Approved
0.5984 Remote Similarity NPD6921 Approved
0.5984 Remote Similarity NPD8516 Approved

Structure

External Identifiers

PubChem CID   44575718
ChEMBL   CHEMBL483221
ZINC  

Physicochemical Properties

Molecular Weight:  498.33
ALogP:  4.3647
MLogP:  4.32
XLogP:  6.281
# Rotatable Bonds:  20
Polar Surface Area:  80.67
# H-Bond Aceptor:  5
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  36

Download Data

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