Natural Product: NPC469323

Natural Product ID:  NPC469323
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C30H46O3
Standard InCHIKey:  TURRMTUNTOXXAR-PCIVBCIOSA-N
Standard InCHI:  InChI=1S/C30H46O3/c1-17-15-19(25-27(4,5)33-25)32-20-16-30(8)18(24(17)20)9-10-22-28(6)13-12-23(31)26(2,3)21(28)11-14-29(22,30)7/h17,19-22,25H,9-16H2,1-8H3/t17-,19?,20?,21?,22?,25-,28+,29+,30+/m1/s1
Canonical SMILES:  C[C@@H]1CC(OC2C1=C1CCC3[C@]([C@]1(C2)C)(C)CCC1[C@]3(C)CCC(=O)C1(C)C)[C@H]1OC1(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
NPO30648 Alisma orientale Species Alismataceae Eukaryota Rhizomes PMID[10560729]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT32 Organism Mus musculus Mus musculus Inhibition = -5.1 % 11473426
NPT32 Organism Mus musculus Mus musculus Inhibition = 84.2 % 17938185
NPT32 Organism Mus musculus Mus musculus Inhibition = 100.4 % 17938185
NPT32 Organism Mus musculus Mus musculus Inhibition = 21.7 % 17938185
NPT32 Organism Mus musculus Mus musculus Inhibition = 31.2 % 17938185
NPT32 Organism Mus musculus Mus musculus IC50 = 12000 nM 17938185

  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 NPC469323 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
0.871 High Similarity NPC303777
0.871 High Similarity NPC471784
0.8636 High Similarity NPC469322
0.8351 Intermediate Similarity NPC324001
0.8333 Intermediate Similarity NPC473174
0.8229 Intermediate Similarity NPC473176
0.8172 Intermediate Similarity NPC274046
0.8172 Intermediate Similarity NPC198074
0.8081 Intermediate Similarity NPC473175
0.7979 Intermediate Similarity NPC469315
0.7978 Intermediate Similarity NPC470047
0.7978 Intermediate Similarity NPC470046
0.7978 Intermediate Similarity NPC86370
0.7917 Intermediate Similarity NPC471777
0.7912 Intermediate Similarity NPC470051
0.7912 Intermediate Similarity NPC470050
0.7879 Intermediate Similarity NPC469316
0.7872 Intermediate Similarity NPC262870
0.7872 Intermediate Similarity NPC473166
0.7835 Intermediate Similarity NPC151488
0.7802 Intermediate Similarity NPC137493
0.7778 Intermediate Similarity NPC476897
0.7745 Intermediate Similarity NPC473173
0.7745 Intermediate Similarity NPC469318
0.7745 Intermediate Similarity NPC144459
0.7732 Intermediate Similarity NPC471822
0.7708 Intermediate Similarity NPC67831
0.7708 Intermediate Similarity NPC174051
0.77 Intermediate Similarity NPC185530
0.7634 Intermediate Similarity NPC469317
0.7634 Intermediate Similarity NPC469314
0.7634 Intermediate Similarity NPC241875
0.7629 Intermediate Similarity NPC469329
0.7629 Intermediate Similarity NPC473415
0.7629 Intermediate Similarity NPC30677
0.7629 Intermediate Similarity NPC37787
0.7629 Intermediate Similarity NPC180557
0.7624 Intermediate Similarity NPC26478
0.7609 Intermediate Similarity NPC470048
0.7604 Intermediate Similarity NPC141447
0.76 Intermediate Similarity NPC469327
0.7579 Intermediate Similarity NPC161638
0.7576 Intermediate Similarity NPC471582
0.7573 Intermediate Similarity NPC473165
0.7573 Intermediate Similarity NPC471601
0.7573 Intermediate Similarity NPC9457
0.7573 Intermediate Similarity NPC471783
0.7526 Intermediate Similarity NPC318332
0.75 Intermediate Similarity NPC190442
0.75 Intermediate Similarity NPC49420
0.75 Intermediate Similarity NPC473157
0.75 Intermediate Similarity NPC109512
0.7476 Intermediate Similarity NPC60681
0.7423 Intermediate Similarity NPC169343
0.7423 Intermediate Similarity NPC229976
0.7407 Intermediate Similarity NPC284915
0.7404 Intermediate Similarity NPC473169
0.7396 Intermediate Similarity NPC198818
0.7396 Intermediate Similarity NPC8062
0.7396 Intermediate Similarity NPC472307
0.7391 Intermediate Similarity NPC170862
0.7383 Intermediate Similarity NPC476163
0.7379 Intermediate Similarity NPC75531
0.7379 Intermediate Similarity NPC149124
0.7374 Intermediate Similarity NPC160056
0.7347 Intermediate Similarity NPC240617
0.734 Intermediate Similarity NPC471737
0.734 Intermediate Similarity NPC195640
0.7333 Intermediate Similarity NPC61411
0.7333 Intermediate Similarity NPC177064
0.7308 Intermediate Similarity NPC470587
0.7303 Intermediate Similarity NPC470750
0.7303 Intermediate Similarity NPC470557
0.7292 Intermediate Similarity NPC229871
0.7292 Intermediate Similarity NPC285982
0.7292 Intermediate Similarity NPC2983
0.7292 Intermediate Similarity NPC469319
0.7283 Intermediate Similarity NPC163236
0.7282 Intermediate Similarity NPC239716
0.7273 Intermediate Similarity NPC312824
0.7273 Intermediate Similarity NPC33473
0.7273 Intermediate Similarity NPC470493
0.7273 Intermediate Similarity NPC183580
0.7263 Intermediate Similarity NPC477228
0.7263 Intermediate Similarity NPC90652
0.7255 Intermediate Similarity NPC474327
0.7245 Intermediate Similarity NPC475700
0.7241 Intermediate Similarity NPC474123
0.7238 Intermediate Similarity NPC131665
0.7238 Intermediate Similarity NPC255387
0.7234 Intermediate Similarity NPC471224
0.7234 Intermediate Similarity NPC274724
0.7234 Intermediate Similarity NPC323765
0.7222 Intermediate Similarity NPC470052
0.7216 Intermediate Similarity NPC320026
0.7216 Intermediate Similarity NPC76286
0.7207 Intermediate Similarity NPC113448
0.7204 Intermediate Similarity NPC472744
0.72 Intermediate Similarity NPC472362
0.72 Intermediate Similarity NPC322063
0.72 Intermediate Similarity NPC472363
0.72 Intermediate Similarity NPC154526
0.7196 Intermediate Similarity NPC29133
0.7191 Intermediate Similarity NPC198473
0.7188 Intermediate Similarity NPC474845
0.7188 Intermediate Similarity NPC478261
0.7188 Intermediate Similarity NPC478259
0.7188 Intermediate Similarity NPC478260
0.7188 Intermediate Similarity NPC28227
0.7188 Intermediate Similarity NPC470417
0.7174 Intermediate Similarity NPC282293
0.7172 Intermediate Similarity NPC84893
0.7158 Intermediate Similarity NPC469994
0.7158 Intermediate Similarity NPC472505
0.7157 Intermediate Similarity NPC83709
0.7143 Intermediate Similarity NPC264954
0.7143 Intermediate Similarity NPC218301
0.7143 Intermediate Similarity NPC473167
0.7143 Intermediate Similarity NPC215843
0.7143 Intermediate Similarity NPC476177
0.7143 Intermediate Similarity NPC42673
0.713 Intermediate Similarity NPC470960
0.713 Intermediate Similarity NPC470961
0.7129 Intermediate Similarity NPC121402
0.7129 Intermediate Similarity NPC10057
0.7129 Intermediate Similarity NPC151681
0.7129 Intermediate Similarity NPC132753
0.7129 Intermediate Similarity NPC76266
0.7129 Intermediate Similarity NPC175351
0.7129 Intermediate Similarity NPC224356
0.7129 Intermediate Similarity NPC110937
0.7129 Intermediate Similarity NPC2049
0.7128 Intermediate Similarity NPC475193
0.7128 Intermediate Similarity NPC312660
0.7128 Intermediate Similarity NPC82902
0.7128 Intermediate Similarity NPC227132
0.7128 Intermediate Similarity NPC120158
0.7117 Intermediate Similarity NPC167606
0.7117 Intermediate Similarity NPC286528
0.7117 Intermediate Similarity NPC20302
0.7117 Intermediate Similarity NPC470492
0.7117 Intermediate Similarity NPC140055
0.7115 Intermediate Similarity NPC112009
0.7115 Intermediate Similarity NPC180204
0.7115 Intermediate Similarity NPC470954
0.7115 Intermediate Similarity NPC168575
0.7113 Intermediate Similarity NPC122116
0.7111 Intermediate Similarity NPC316500
0.71 Intermediate Similarity NPC280877
0.71 Intermediate Similarity NPC84383
0.7097 Intermediate Similarity NPC477858
0.7097 Intermediate Similarity NPC145143
0.7097 Intermediate Similarity NPC469325
0.7087 Intermediate Similarity NPC471075
0.7087 Intermediate Similarity NPC310981
0.7087 Intermediate Similarity NPC476888
0.7087 Intermediate Similarity NPC93744
0.7087 Intermediate Similarity NPC235142
0.7083 Intermediate Similarity NPC317590
0.708 Intermediate Similarity NPC251226
0.708 Intermediate Similarity NPC154491
0.708 Intermediate Similarity NPC268530
0.708 Intermediate Similarity NPC474370
0.7079 Intermediate Similarity NPC475771
0.7079 Intermediate Similarity NPC469678
0.7079 Intermediate Similarity NPC469669
0.7075 Intermediate Similarity NPC180744
0.7065 Intermediate Similarity NPC267517
0.7065 Intermediate Similarity NPC233332
0.7064 Intermediate Similarity NPC191620
0.7064 Intermediate Similarity NPC470063
0.7059 Intermediate Similarity NPC98868
0.7059 Intermediate Similarity NPC234617
0.7059 Intermediate Similarity NPC124703
0.7054 Intermediate Similarity NPC473720
0.7054 Intermediate Similarity NPC709
0.7054 Intermediate Similarity NPC50774
0.7054 Intermediate Similarity NPC186525
0.7053 Intermediate Similarity NPC474083
0.7053 Intermediate Similarity NPC474218
0.7053 Intermediate Similarity NPC476678
0.7053 Intermediate Similarity NPC470223
0.7053 Intermediate Similarity NPC189311
0.7045 Intermediate Similarity NPC107783
0.7045 Intermediate Similarity NPC92909
0.7041 Intermediate Similarity NPC273199
0.7041 Intermediate Similarity NPC478257
0.7041 Intermediate Similarity NPC219495
0.7041 Intermediate Similarity NPC478258
0.7041 Intermediate Similarity NPC113393
0.7041 Intermediate Similarity NPC101651
0.7041 Intermediate Similarity NPC171441
0.7041 Intermediate Similarity NPC85173
0.7041 Intermediate Similarity NPC159748
0.7037 Intermediate Similarity NPC472215
0.7037 Intermediate Similarity NPC472214
0.7037 Intermediate Similarity NPC253906
0.7033 Intermediate Similarity NPC63020
0.703 Intermediate Similarity NPC471775
0.7027 Intermediate Similarity NPC268213

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC469323 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
0.7553 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.734 Intermediate Similarity NPD7521 Approved
0.734 Intermediate Similarity NPD6409 Approved
0.734 Intermediate Similarity NPD6684 Approved
0.734 Intermediate Similarity NPD5330 Approved
0.734 Intermediate Similarity NPD7146 Approved
0.734 Intermediate Similarity NPD7334 Approved
0.7188 Intermediate Similarity NPD6903 Approved
0.7117 Intermediate Similarity NPD7115 Discovery
0.7075 Intermediate Similarity NPD5954 Clinical (unspecified phase)
0.6979 Remote Similarity NPD6098 Approved
0.697 Remote Similarity NPD5693 Phase 1
0.6947 Remote Similarity NPD4786 Approved
0.6947 Remote Similarity NPD3666 Approved
0.6947 Remote Similarity NPD3133 Approved
0.6947 Remote Similarity NPD3665 Phase 1
0.6944 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6939 Remote Similarity NPD6051 Approved
0.6932 Remote Similarity NPD5777 Approved
0.6916 Remote Similarity NPD6412 Phase 2
0.6915 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6915 Remote Similarity NPD3667 Approved
0.6881 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6842 Remote Similarity NPD4788 Approved
0.6837 Remote Similarity NPD6672 Approved
0.6837 Remote Similarity NPD5737 Approved
0.6796 Remote Similarity NPD6084 Phase 2
0.6796 Remote Similarity NPD6083 Phase 2
0.6771 Remote Similarity NPD3668 Phase 3
0.6768 Remote Similarity NPD6904 Approved
0.6768 Remote Similarity NPD4753 Phase 2
0.6768 Remote Similarity NPD6080 Approved
0.6768 Remote Similarity NPD6673 Approved
0.6765 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6737 Remote Similarity NPD4221 Approved
0.6737 Remote Similarity NPD4223 Phase 3
0.6733 Remote Similarity NPD6399 Phase 3
0.6731 Remote Similarity NPD7638 Approved
0.6701 Remote Similarity NPD5329 Approved
0.6701 Remote Similarity NPD1694 Approved
0.6697 Remote Similarity NPD6686 Approved
0.6667 Remote Similarity NPD7900 Approved
0.6667 Remote Similarity NPD7639 Approved
0.6667 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7748 Approved
0.6667 Remote Similarity NPD7640 Approved
0.6667 Remote Similarity NPD5208 Approved
0.6667 Remote Similarity NPD3617 Approved
0.6639 Remote Similarity NPD7507 Approved
0.6633 Remote Similarity NPD3618 Phase 1
0.6633 Remote Similarity NPD4519 Discontinued
0.6633 Remote Similarity NPD4623 Approved
0.6632 Remote Similarity NPD4692 Approved
0.6632 Remote Similarity NPD4139 Approved
0.6629 Remote Similarity NPD4245 Approved
0.6629 Remote Similarity NPD4244 Approved
0.6604 Remote Similarity NPD4159 Approved
0.6602 Remote Similarity NPD5695 Phase 3
0.66 Remote Similarity NPD5328 Approved
0.6598 Remote Similarity NPD4197 Approved
0.6571 Remote Similarity NPD5696 Approved
0.6569 Remote Similarity NPD4202 Approved
0.6566 Remote Similarity NPD3573 Approved
0.6542 Remote Similarity NPD7632 Discontinued
0.6531 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6517 Remote Similarity NPD3698 Phase 2
0.6514 Remote Similarity NPD6675 Approved
0.6514 Remote Similarity NPD6008 Approved
0.6514 Remote Similarity NPD6402 Approved
0.6514 Remote Similarity NPD7128 Approved
0.6514 Remote Similarity NPD5739 Approved
0.6505 Remote Similarity NPD6001 Approved
0.6476 Remote Similarity NPD4755 Approved
0.6476 Remote Similarity NPD7902 Approved
0.6475 Remote Similarity NPD7319 Approved
0.6471 Remote Similarity NPD8034 Phase 2
0.6471 Remote Similarity NPD6050 Approved
0.6471 Remote Similarity NPD8035 Phase 2
0.6471 Remote Similarity NPD7515 Phase 2
0.6471 Remote Similarity NPD6079 Approved
0.6465 Remote Similarity NPD4690 Approved
0.6465 Remote Similarity NPD4138 Approved
0.6465 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6465 Remote Similarity NPD5205 Approved
0.6465 Remote Similarity NPD4693 Phase 3
0.6465 Remote Similarity NPD4688 Approved
0.6465 Remote Similarity NPD4689 Approved
0.646 Remote Similarity NPD8297 Approved
0.6442 Remote Similarity NPD4629 Approved
0.6442 Remote Similarity NPD5210 Approved
0.6404 Remote Similarity NPD8133 Approved
0.6396 Remote Similarity NPD7320 Approved
0.6396 Remote Similarity NPD6899 Approved
0.6396 Remote Similarity NPD6881 Approved
0.6389 Remote Similarity NPD5211 Phase 2
0.6374 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6374 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6373 Remote Similarity NPD5692 Phase 3
0.6373 Remote Similarity NPD5207 Approved
0.6355 Remote Similarity NPD5286 Approved
0.6355 Remote Similarity NPD4700 Approved
0.6355 Remote Similarity NPD5285 Approved
0.6355 Remote Similarity NPD4696 Approved
0.6344 Remote Similarity NPD3702 Approved
0.6339 Remote Similarity NPD6373 Approved
0.6339 Remote Similarity NPD6372 Approved
0.6339 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6333 Remote Similarity NPD3700 Clinical (unspecified phase)
0.6333 Remote Similarity NPD4137 Phase 3
0.6333 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6325 Remote Similarity NPD7327 Approved
0.6325 Remote Similarity NPD7328 Approved
0.6311 Remote Similarity NPD5694 Approved
0.6306 Remote Similarity NPD5701 Approved
0.6306 Remote Similarity NPD5697 Approved
0.63 Remote Similarity NPD5280 Approved
0.63 Remote Similarity NPD4694 Approved
0.63 Remote Similarity NPD5690 Phase 2
0.63 Remote Similarity NPD5279 Phase 3
0.6283 Remote Similarity NPD7290 Approved
0.6283 Remote Similarity NPD6883 Approved
0.6283 Remote Similarity NPD7102 Approved
0.6273 Remote Similarity NPD5141 Approved
0.6271 Remote Similarity NPD7516 Approved
0.6264 Remote Similarity NPD4789 Approved
0.6264 Remote Similarity NPD4691 Approved
0.6264 Remote Similarity NPD4747 Approved
0.6262 Remote Similarity NPD4225 Approved
0.625 Remote Similarity NPD7645 Phase 2
0.625 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6239 Remote Similarity NPD5226 Approved
0.6239 Remote Similarity NPD5225 Approved
0.6239 Remote Similarity NPD4633 Approved
0.6239 Remote Similarity NPD5224 Approved
0.6228 Remote Similarity NPD6617 Approved
0.6228 Remote Similarity NPD6650 Approved
0.6228 Remote Similarity NPD8130 Phase 1
0.6228 Remote Similarity NPD6649 Approved
0.6228 Remote Similarity NPD6869 Approved
0.6228 Remote Similarity NPD6847 Approved
0.6222 Remote Similarity NPD5361 Clinical (unspecified phase)
0.6222 Remote Similarity NPD3621 Clinical (unspecified phase)
0.6222 Remote Similarity NPD5360 Phase 3
0.6218 Remote Similarity NPD8377 Approved
0.6218 Remote Similarity NPD8294 Approved
0.6214 Remote Similarity NPD6698 Approved
0.6214 Remote Similarity NPD46 Approved
0.6195 Remote Similarity NPD6014 Approved
0.6195 Remote Similarity NPD6013 Approved
0.6195 Remote Similarity NPD6012 Approved
0.6186 Remote Similarity NPD7525 Registered
0.6182 Remote Similarity NPD5174 Approved
0.6182 Remote Similarity NPD5175 Approved
0.6174 Remote Similarity NPD6882 Approved
0.617 Remote Similarity NPD8039 Approved
0.6168 Remote Similarity NPD5959 Approved
0.6167 Remote Similarity NPD8296 Approved
0.6167 Remote Similarity NPD8335 Approved
0.6167 Remote Similarity NPD8380 Approved
0.6167 Remote Similarity NPD8379 Approved
0.6167 Remote Similarity NPD8033 Approved
0.6167 Remote Similarity NPD8378 Approved
0.6147 Remote Similarity NPD5223 Approved
0.614 Remote Similarity NPD6371 Approved
0.6132 Remote Similarity NPD5654 Approved
0.6121 Remote Similarity NPD7094 Approved
0.6121 Remote Similarity NPD6858 Approved
0.6117 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6117 Remote Similarity NPD1695 Approved
0.6106 Remote Similarity NPD6011 Approved
0.6105 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6095 Remote Similarity NPD5133 Approved
0.6087 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6083 Remote Similarity NPD6054 Approved
0.6083 Remote Similarity NPD6059 Approved
0.6082 Remote Similarity NPD4195 Approved
0.6078 Remote Similarity NPD7524 Approved
0.6075 Remote Similarity NPD7732 Phase 3
0.6075 Remote Similarity NPD5221 Approved
0.6075 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6075 Remote Similarity NPD5222 Approved
0.6075 Remote Similarity NPD4697 Phase 3
0.6071 Remote Similarity NPD4767 Approved
0.6071 Remote Similarity NPD4768 Approved
0.6067 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6064 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6064 Remote Similarity NPD5733 Approved
0.6064 Remote Similarity NPD4058 Approved
0.6061 Remote Similarity NPD5209 Approved
0.604 Remote Similarity NPD1733 Clinical (unspecified phase)
0.6036 Remote Similarity NPD6052 Approved
0.6036 Remote Similarity NPD4754 Approved
0.6034 Remote Similarity NPD6053 Discontinued
0.6033 Remote Similarity NPD7503 Approved
0.6022 Remote Similarity NPD4243 Approved
0.602 Remote Similarity NPD4695 Discontinued
0.6019 Remote Similarity NPD5173 Approved
0.6 Remote Similarity NPD4634 Approved
0.6 Remote Similarity NPD7736 Approved
0.6 Remote Similarity NPD6695 Phase 3

Structure

External Identifiers

PubChem CID   44335328
ChEMBL   CHEMBL105315
ZINC  

Physicochemical Properties

Molecular Weight:  454.34
ALogP:  2.6011
MLogP:  4.43
XLogP:  6.424
# Rotatable Bonds:  9
Polar Surface Area:  38.83
# H-Bond Aceptor:  3
# H-Bond Donor:  0
# Rings:  6
# Heavy Atoms:  33

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
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