Natural Product: NPC118174

Natural Product ID:  NPC118174
Common Name:   Angustific Acid A
IUPAC Name:  
Synonyms:   Angustific Acid A
Molecular Formula:   C30H40O4
Standard InCHIKey:  OEBCOPKBNAGZEV-PNVFSJBDSA-N
Standard InCHI:  InChI=1S/C30H40O4/c1-18(2)22-16-23-25-28(6)12-10-21(19(3)8-7-9-20(4)26(32)33)27(28,5)14-15-30(25)17-29(22,30)13-11-24(31)34-23/h9-10,22-23,25H,1,3,7-8,11-17H2,2,4-6H3,(H,32,33)/b20-9-/t22-,23-,25+,27-,28+,29-,30+/m1/s1
Canonical SMILES:  O=C1CC[C@@]23C[C@]43[C@@H]([C@H](O1)C[C@@H]2C(=C)C)[C@]1(C)CC=C([C@]1(CC4)C)C(=C)CC/C=C(C(=O)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
NPO18146 Kadsura angustifolia Species Schisandraceae Eukaryota PMID[21232955]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT24 Organism Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 = 6.11 ug/ml 19743809
NPT2 Others Unspecified Ratio CC50/EC50 > 32.8 19743809

  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 NPC118174 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
0.8878 High Similarity NPC470074
0.8763 High Similarity NPC301534
0.8763 High Similarity NPC250757
0.8737 High Similarity NPC470113
0.8687 High Similarity NPC266955
0.8646 High Similarity NPC472871
0.8617 High Similarity NPC472870
0.8614 High Similarity NPC72151
0.8614 High Similarity NPC476237
0.86 High Similarity NPC115899
0.8586 High Similarity NPC108368
0.8586 High Similarity NPC57079
0.8526 High Similarity NPC66344
0.8515 High Similarity NPC320447
0.85 High Similarity NPC471041
0.85 High Similarity NPC476303
0.8469 Intermediate Similarity NPC476174
0.8469 Intermediate Similarity NPC293052
0.8454 Intermediate Similarity NPC476304
0.8454 Intermediate Similarity NPC38232
0.8438 Intermediate Similarity NPC475965
0.8438 Intermediate Similarity NPC474842
0.8438 Intermediate Similarity NPC472866
0.8431 Intermediate Similarity NPC176883
0.8421 Intermediate Similarity NPC117122
0.8421 Intermediate Similarity NPC104560
0.8416 Intermediate Similarity NPC282524
0.8404 Intermediate Similarity NPC186975
0.8404 Intermediate Similarity NPC472869
0.84 Intermediate Similarity NPC98868
0.8387 Intermediate Similarity NPC472864
0.8387 Intermediate Similarity NPC19849
0.8384 Intermediate Similarity NPC190713
0.8367 Intermediate Similarity NPC476186
0.8367 Intermediate Similarity NPC469406
0.8367 Intermediate Similarity NPC299100
0.8351 Intermediate Similarity NPC74296
0.8351 Intermediate Similarity NPC110923
0.8351 Intermediate Similarity NPC473986
0.8351 Intermediate Similarity NPC474018
0.8351 Intermediate Similarity NPC476187
0.835 Intermediate Similarity NPC472868
0.8333 Intermediate Similarity NPC114540
0.8333 Intermediate Similarity NPC155332
0.8333 Intermediate Similarity NPC32577
0.8317 Intermediate Similarity NPC35751
0.8317 Intermediate Similarity NPC201406
0.8317 Intermediate Similarity NPC476274
0.8316 Intermediate Similarity NPC236618
0.83 Intermediate Similarity NPC141401
0.83 Intermediate Similarity NPC253826
0.8283 Intermediate Similarity NPC84383
0.8283 Intermediate Similarity NPC139459
0.8283 Intermediate Similarity NPC180950
0.8269 Intermediate Similarity NPC266570
0.8265 Intermediate Similarity NPC214697
0.8265 Intermediate Similarity NPC139692
0.8252 Intermediate Similarity NPC329345
0.8252 Intermediate Similarity NPC475526
0.8252 Intermediate Similarity NPC473283
0.8252 Intermediate Similarity NPC180204
0.8252 Intermediate Similarity NPC112009
0.8247 Intermediate Similarity NPC471896
0.8235 Intermediate Similarity NPC99411
0.8235 Intermediate Similarity NPC476223
0.8235 Intermediate Similarity NPC476240
0.8235 Intermediate Similarity NPC224720
0.8218 Intermediate Similarity NPC478056
0.8218 Intermediate Similarity NPC252295
0.8218 Intermediate Similarity NPC471717
0.8218 Intermediate Similarity NPC92275
0.82 Intermediate Similarity NPC471153
0.82 Intermediate Similarity NPC195366
0.82 Intermediate Similarity NPC134072
0.82 Intermediate Similarity NPC471039
0.82 Intermediate Similarity NPC114743
0.82 Intermediate Similarity NPC234993
0.82 Intermediate Similarity NPC29152
0.82 Intermediate Similarity NPC307164
0.82 Intermediate Similarity NPC242848
0.82 Intermediate Similarity NPC327788
0.8191 Intermediate Similarity NPC472865
0.819 Intermediate Similarity NPC473284
0.8182 Intermediate Similarity NPC159410
0.8182 Intermediate Similarity NPC471040
0.8182 Intermediate Similarity NPC474690
0.8182 Intermediate Similarity NPC49670
0.8163 Intermediate Similarity NPC212948
0.8155 Intermediate Similarity NPC136289
0.8148 Intermediate Similarity NPC475970
0.8144 Intermediate Similarity NPC472240
0.8144 Intermediate Similarity NPC262858
0.8144 Intermediate Similarity NPC128496
0.8137 Intermediate Similarity NPC470906
0.8137 Intermediate Similarity NPC471413
0.8131 Intermediate Similarity NPC16270
0.8119 Intermediate Similarity NPC156546
0.8119 Intermediate Similarity NPC2049
0.8119 Intermediate Similarity NPC110937
0.8105 Intermediate Similarity NPC283733
0.81 Intermediate Similarity NPC88310
0.81 Intermediate Similarity NPC33473
0.8095 Intermediate Similarity NPC189863
0.8085 Intermediate Similarity NPC476927
0.8081 Intermediate Similarity NPC141497
0.8081 Intermediate Similarity NPC474185
0.8081 Intermediate Similarity NPC107674
0.8081 Intermediate Similarity NPC170220
0.8077 Intermediate Similarity NPC475050
0.8065 Intermediate Similarity NPC170303
0.8061 Intermediate Similarity NPC111585
0.8061 Intermediate Similarity NPC477149
0.8061 Intermediate Similarity NPC175628
0.8061 Intermediate Similarity NPC477147
0.8061 Intermediate Similarity NPC148414
0.8058 Intermediate Similarity NPC81530
0.8058 Intermediate Similarity NPC471412
0.8058 Intermediate Similarity NPC168319
0.8058 Intermediate Similarity NPC194028
0.8056 Intermediate Similarity NPC474315
0.8039 Intermediate Similarity NPC218107
0.8039 Intermediate Similarity NPC103051
0.8039 Intermediate Similarity NPC166745
0.8039 Intermediate Similarity NPC48647
0.8039 Intermediate Similarity NPC235464
0.8037 Intermediate Similarity NPC474901
0.8037 Intermediate Similarity NPC475941
0.802 Intermediate Similarity NPC106425
0.802 Intermediate Similarity NPC7124
0.802 Intermediate Similarity NPC122324
0.802 Intermediate Similarity NPC456
0.802 Intermediate Similarity NPC472941
0.802 Intermediate Similarity NPC151725
0.8 Intermediate Similarity NPC476038
0.8 Intermediate Similarity NPC473280
0.8 Intermediate Similarity NPC164577
0.8 Intermediate Similarity NPC194937
0.8 Intermediate Similarity NPC248758
0.8 Intermediate Similarity NPC473435
0.8 Intermediate Similarity NPC471078
0.8 Intermediate Similarity NPC473431
0.8 Intermediate Similarity NPC306951
0.8 Intermediate Similarity NPC124207
0.7981 Intermediate Similarity NPC162973
0.7981 Intermediate Similarity NPC293753
0.798 Intermediate Similarity NPC26888
0.798 Intermediate Similarity NPC86266
0.798 Intermediate Similarity NPC110657
0.798 Intermediate Similarity NPC473998
0.798 Intermediate Similarity NPC212301
0.7979 Intermediate Similarity NPC256112
0.7961 Intermediate Similarity NPC477521
0.7961 Intermediate Similarity NPC251680
0.7959 Intermediate Similarity NPC475921
0.7959 Intermediate Similarity NPC36668
0.7959 Intermediate Similarity NPC84271
0.7959 Intermediate Similarity NPC174342
0.7959 Intermediate Similarity NPC474889
0.7959 Intermediate Similarity NPC77168
0.7959 Intermediate Similarity NPC474704
0.7959 Intermediate Similarity NPC309603
0.7959 Intermediate Similarity NPC146554
0.7959 Intermediate Similarity NPC214387
0.7959 Intermediate Similarity NPC102414
0.7959 Intermediate Similarity NPC118011
0.7959 Intermediate Similarity NPC473999
0.7944 Intermediate Similarity NPC475418
0.7944 Intermediate Similarity NPC473482
0.7944 Intermediate Similarity NPC220155
0.7944 Intermediate Similarity NPC318363
0.7941 Intermediate Similarity NPC474938
0.7941 Intermediate Similarity NPC99726
0.7941 Intermediate Similarity NPC474343
0.7941 Intermediate Similarity NPC320306
0.7941 Intermediate Similarity NPC108078
0.7941 Intermediate Similarity NPC202705
0.7941 Intermediate Similarity NPC474785
0.7938 Intermediate Similarity NPC128644
0.7938 Intermediate Similarity NPC141292
0.7938 Intermediate Similarity NPC474684
0.7938 Intermediate Similarity NPC142361
0.7925 Intermediate Similarity NPC34768
0.7921 Intermediate Similarity NPC183012
0.7921 Intermediate Similarity NPC474909
0.7921 Intermediate Similarity NPC279974
0.7917 Intermediate Similarity NPC65661
0.7917 Intermediate Similarity NPC109528
0.7909 Intermediate Similarity NPC122056
0.7905 Intermediate Similarity NPC95899
0.7905 Intermediate Similarity NPC297617
0.7905 Intermediate Similarity NPC478057
0.7905 Intermediate Similarity NPC85742
0.79 Intermediate Similarity NPC162615
0.79 Intermediate Similarity NPC79117
0.79 Intermediate Similarity NPC205034
0.79 Intermediate Similarity NPC152778
0.79 Intermediate Similarity NPC470224
0.79 Intermediate Similarity NPC472303
0.7895 Intermediate Similarity NPC97913
0.7885 Intermediate Similarity NPC146822

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC118174 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
0.7961 Intermediate Similarity NPD7640 Approved
0.7961 Intermediate Similarity NPD7639 Approved
0.7864 Intermediate Similarity NPD7638 Approved
0.7822 Intermediate Similarity NPD7748 Approved
0.7723 Intermediate Similarity NPD6399 Phase 3
0.7699 Intermediate Similarity NPD7115 Discovery
0.7624 Intermediate Similarity NPD7515 Phase 2
0.7624 Intermediate Similarity NPD6079 Approved
0.7615 Intermediate Similarity NPD6881 Approved
0.7615 Intermediate Similarity NPD6899 Approved
0.7604 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.76 Intermediate Similarity NPD5328 Approved
0.7596 Intermediate Similarity NPD7902 Approved
0.7593 Intermediate Similarity NPD5739 Approved
0.7593 Intermediate Similarity NPD6675 Approved
0.7593 Intermediate Similarity NPD7128 Approved
0.7593 Intermediate Similarity NPD6402 Approved
0.7573 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7524 Intermediate Similarity NPD4225 Approved
0.7523 Intermediate Similarity NPD5697 Approved
0.75 Intermediate Similarity NPD6672 Approved
0.75 Intermediate Similarity NPD5737 Approved
0.7477 Intermediate Similarity NPD6883 Approved
0.7477 Intermediate Similarity NPD7290 Approved
0.7477 Intermediate Similarity NPD7102 Approved
0.7475 Intermediate Similarity NPD7146 Approved
0.7475 Intermediate Similarity NPD7521 Approved
0.7475 Intermediate Similarity NPD7334 Approved
0.7475 Intermediate Similarity NPD6409 Approved
0.7475 Intermediate Similarity NPD3618 Phase 1
0.7475 Intermediate Similarity NPD6684 Approved
0.7475 Intermediate Similarity NPD5330 Approved
0.7455 Intermediate Similarity NPD7320 Approved
0.7455 Intermediate Similarity NPD6011 Approved
0.7451 Intermediate Similarity NPD8035 Phase 2
0.7451 Intermediate Similarity NPD8034 Phase 2
0.7429 Intermediate Similarity NPD6083 Phase 2
0.7429 Intermediate Similarity NPD6084 Phase 2
0.7411 Intermediate Similarity NPD6650 Approved
0.7411 Intermediate Similarity NPD8130 Phase 1
0.7411 Intermediate Similarity NPD6617 Approved
0.7411 Intermediate Similarity NPD6869 Approved
0.7411 Intermediate Similarity NPD6649 Approved
0.7411 Intermediate Similarity NPD6847 Approved
0.7387 Intermediate Similarity NPD6373 Approved
0.7387 Intermediate Similarity NPD6013 Approved
0.7387 Intermediate Similarity NPD6012 Approved
0.7387 Intermediate Similarity NPD6372 Approved
0.7387 Intermediate Similarity NPD6014 Approved
0.7374 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7364 Intermediate Similarity NPD5701 Approved
0.7345 Intermediate Similarity NPD6882 Approved
0.7345 Intermediate Similarity NPD8297 Approved
0.7333 Intermediate Similarity NPD5221 Approved
0.7333 Intermediate Similarity NPD5222 Approved
0.7333 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7327 Intermediate Similarity NPD6903 Approved
0.7327 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7315 Intermediate Similarity NPD7632 Discontinued
0.7315 Intermediate Similarity NPD5211 Phase 2
0.7308 Intermediate Similarity NPD7900 Approved
0.7308 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7282 Intermediate Similarity NPD7637 Suspended
0.7273 Intermediate Similarity NPD4786 Approved
0.7264 Intermediate Similarity NPD5173 Approved
0.7257 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7238 Intermediate Similarity NPD5695 Phase 3
0.7212 Intermediate Similarity NPD4202 Approved
0.72 Intermediate Similarity NPD1694 Approved
0.7196 Intermediate Similarity NPD5696 Approved
0.7182 Intermediate Similarity NPD5141 Approved
0.717 Intermediate Similarity NPD4697 Phase 3
0.7155 Intermediate Similarity NPD6868 Approved
0.7143 Intermediate Similarity NPD6001 Approved
0.713 Intermediate Similarity NPD5286 Approved
0.713 Intermediate Similarity NPD6404 Discontinued
0.713 Intermediate Similarity NPD4696 Approved
0.713 Intermediate Similarity NPD5285 Approved
0.7129 Intermediate Similarity NPD5279 Phase 3
0.7117 Intermediate Similarity NPD6008 Approved
0.7115 Intermediate Similarity NPD6050 Approved
0.7115 Intermediate Similarity NPD5284 Approved
0.7115 Intermediate Similarity NPD5281 Approved
0.7103 Intermediate Similarity NPD4755 Approved
0.71 Intermediate Similarity NPD3665 Phase 1
0.71 Intermediate Similarity NPD3133 Approved
0.71 Intermediate Similarity NPD3666 Approved
0.7087 Intermediate Similarity NPD6904 Approved
0.7087 Intermediate Similarity NPD6080 Approved
0.7087 Intermediate Similarity NPD6673 Approved
0.7071 Intermediate Similarity NPD3667 Approved
0.7064 Intermediate Similarity NPD5223 Approved
0.7059 Intermediate Similarity NPD3573 Approved
0.7048 Intermediate Similarity NPD5778 Approved
0.7048 Intermediate Similarity NPD5779 Approved
0.7034 Intermediate Similarity NPD6335 Approved
0.703 Intermediate Similarity NPD1696 Phase 3
0.7025 Intermediate Similarity NPD7604 Phase 2
0.7019 Intermediate Similarity NPD5692 Phase 3
0.701 Intermediate Similarity NPD5784 Clinical (unspecified phase)
0.7009 Intermediate Similarity NPD6274 Approved
0.7 Intermediate Similarity NPD5362 Discontinued
0.7 Intermediate Similarity NPD5226 Approved
0.7 Intermediate Similarity NPD5225 Approved
0.7 Intermediate Similarity NPD4633 Approved
0.7 Intermediate Similarity NPD5224 Approved
0.6991 Remote Similarity NPD6686 Approved
0.6983 Remote Similarity NPD4632 Approved
0.6975 Remote Similarity NPD7100 Approved
0.6975 Remote Similarity NPD7101 Approved
0.6972 Remote Similarity NPD4700 Approved
0.6961 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6961 Remote Similarity NPD4623 Approved
0.6961 Remote Similarity NPD4519 Discontinued
0.6952 Remote Similarity NPD5694 Approved
0.6952 Remote Similarity NPD6411 Approved
0.6952 Remote Similarity NPD5693 Phase 1
0.6949 Remote Similarity NPD6317 Approved
0.6937 Remote Similarity NPD5175 Approved
0.6937 Remote Similarity NPD5174 Approved
0.693 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6923 Remote Similarity NPD4753 Phase 2
0.6923 Remote Similarity NPD7285 Clinical (unspecified phase)
0.69 Remote Similarity NPD5209 Approved
0.69 Remote Similarity NPD4221 Approved
0.69 Remote Similarity NPD4223 Phase 3
0.6891 Remote Similarity NPD6314 Approved
0.6891 Remote Similarity NPD6313 Approved
0.687 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6869 Remote Similarity NPD7525 Registered
0.6863 Remote Similarity NPD5329 Approved
0.6857 Remote Similarity NPD5207 Approved
0.6857 Remote Similarity NPD5785 Approved
0.6832 Remote Similarity NPD6695 Phase 3
0.6832 Remote Similarity NPD7154 Phase 3
0.6827 Remote Similarity NPD5208 Approved
0.6807 Remote Similarity NPD6009 Approved
0.6804 Remote Similarity NPD6117 Approved
0.6796 Remote Similarity NPD5280 Approved
0.6796 Remote Similarity NPD6098 Approved
0.6796 Remote Similarity NPD4694 Approved
0.6789 Remote Similarity NPD5959 Approved
0.6786 Remote Similarity NPD4754 Approved
0.6777 Remote Similarity NPD6319 Approved
0.6774 Remote Similarity NPD7507 Approved
0.6765 Remote Similarity NPD3668 Phase 3
0.6765 Remote Similarity NPD4197 Approved
0.6765 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6762 Remote Similarity NPD6101 Approved
0.6762 Remote Similarity NPD6051 Approved
0.6762 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6759 Remote Similarity NPD5210 Approved
0.6759 Remote Similarity NPD4629 Approved
0.6735 Remote Similarity NPD6116 Phase 1
0.6724 Remote Similarity NPD6371 Approved
0.6721 Remote Similarity NPD6909 Approved
0.6721 Remote Similarity NPD6908 Approved
0.6721 Remote Similarity NPD5983 Phase 2
0.6721 Remote Similarity NPD6291 Clinical (unspecified phase)
0.67 Remote Similarity NPD4695 Discontinued
0.6699 Remote Similarity NPD5363 Approved
0.6696 Remote Similarity NPD5168 Approved
0.6696 Remote Similarity NPD4730 Approved
0.6696 Remote Similarity NPD4729 Approved
0.6696 Remote Similarity NPD5128 Approved
0.6694 Remote Similarity NPD7492 Approved
0.6667 Remote Similarity NPD7322 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6115 Approved
0.6667 Remote Similarity NPD4768 Approved
0.6667 Remote Similarity NPD6697 Approved
0.6667 Remote Similarity NPD6118 Approved
0.6667 Remote Similarity NPD6114 Approved
0.6667 Remote Similarity NPD4788 Approved
0.6667 Remote Similarity NPD4767 Approved
0.6667 Remote Similarity NPD6648 Approved
0.664 Remote Similarity NPD6616 Approved
0.664 Remote Similarity NPD6336 Discontinued
0.6639 Remote Similarity NPD6054 Approved
0.6635 Remote Similarity NPD4689 Approved
0.6635 Remote Similarity NPD4138 Approved
0.6635 Remote Similarity NPD4688 Approved
0.6635 Remote Similarity NPD4690 Approved
0.6635 Remote Similarity NPD5690 Phase 2
0.6635 Remote Similarity NPD4693 Phase 3
0.6635 Remote Similarity NPD5205 Approved
0.6634 Remote Similarity NPD6902 Approved
0.6614 Remote Similarity NPD7319 Approved
0.6609 Remote Similarity NPD6412 Phase 2
0.6609 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6606 Remote Similarity NPD5654 Approved
0.66 Remote Similarity NPD6929 Approved
0.6598 Remote Similarity NPD6926 Approved
0.6598 Remote Similarity NPD6924 Approved
0.6598 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6587 Remote Similarity NPD7078 Approved
0.6585 Remote Similarity NPD7503 Approved
0.6581 Remote Similarity NPD5247 Approved
0.6581 Remote Similarity NPD5249 Phase 3
0.6581 Remote Similarity NPD5250 Approved
0.6581 Remote Similarity NPD5251 Approved

Structure

External Identifiers

PubChem CID   53325465
ChEMBL   CHEMBL1669428
ZINC  

Physicochemical Properties

Molecular Weight:  464.29
ALogP:  3.5869
MLogP:  4.32
XLogP:  7.66
# Rotatable Bonds:  11
Polar Surface Area:  63.6
# H-Bond Aceptor:  4
# H-Bond Donor:  1
# Rings:  4
# Heavy Atoms:  34

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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