Natural Product: NPC470275

Natural Product ID:  NPC470275
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C34H51NO4
Standard InCHIKey:  KABLNYFUJKBLHV-CWRLSHMXSA-N
Standard InCHI:  InChI=1S/C34H51NO4/c1-21(19-36)10-9-11-22(2)24-12-14-32(8)26-18-25-28(23(3)29(38)39-25)34(15-13-27(37)35-30(4,5)6)20-33(26,34)17-16-31(24,32)7/h10,19,22,24-26,28H,3,9,11-18,20H2,1-2,4-8H3,(H,35,37)/b21-10+/t22-,24-,25-,26+,28-,31-,32+,33+,34-/m1/s1
Canonical SMILES:  O=C/C(=C/CC[C@H]([C@H]1CC[C@@]2([C@]1(C)CC[C@@]13[C@H]2C[C@@H]2[C@H]([C@]3(C1)CCC(=NC(C)(C)C)O)C(=C)C(=O)O2)C)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
NPO33315 gardenia spp. Species Rubiaceae Eukaryota Thailand PMID[22142538]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT177 Tissue Aorta Rattus norvegicus Inhibition = 10 % 22088956

  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 NPC470275 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
0.9545 High Similarity NPC470276
0.8879 High Similarity NPC176883
0.8598 High Similarity NPC470906
0.8598 High Similarity NPC476303
0.8364 Intermediate Similarity NPC476237
0.8333 Intermediate Similarity NPC252295
0.8318 Intermediate Similarity NPC307164
0.8017 Intermediate Similarity NPC470277
0.8 Intermediate Similarity NPC473155
0.7876 Intermediate Similarity NPC180204
0.7838 Intermediate Similarity NPC98868
0.7769 Intermediate Similarity NPC9714
0.7768 Intermediate Similarity NPC201406
0.7727 Intermediate Similarity NPC293052
0.7719 Intermediate Similarity NPC112009
0.7652 Intermediate Similarity NPC119329
0.7647 Intermediate Similarity NPC69291
0.7632 Intermediate Similarity NPC32577
0.7632 Intermediate Similarity NPC155332
0.7632 Intermediate Similarity NPC114540
0.7615 Intermediate Similarity NPC476187
0.7615 Intermediate Similarity NPC470113
0.7593 Intermediate Similarity NPC288699
0.7571 Intermediate Similarity NPC470274
0.7568 Intermediate Similarity NPC183012
0.7568 Intermediate Similarity NPC33473
0.7565 Intermediate Similarity NPC36688
0.7565 Intermediate Similarity NPC120321
0.7545 Intermediate Similarity NPC474185
0.7545 Intermediate Similarity NPC470224
0.7544 Intermediate Similarity NPC118174
0.7544 Intermediate Similarity NPC303559
0.7523 Intermediate Similarity NPC471896
0.7522 Intermediate Similarity NPC57079
0.7522 Intermediate Similarity NPC108368
0.75 Intermediate Similarity NPC327788
0.7456 Intermediate Similarity NPC35751
0.7456 Intermediate Similarity NPC266955
0.7455 Intermediate Similarity NPC186363
0.7455 Intermediate Similarity NPC233345
0.7455 Intermediate Similarity NPC72845
0.7455 Intermediate Similarity NPC26888
0.7438 Intermediate Similarity NPC122056
0.7436 Intermediate Similarity NPC475414
0.7436 Intermediate Similarity NPC173172
0.7434 Intermediate Similarity NPC110937
0.7434 Intermediate Similarity NPC291634
0.7434 Intermediate Similarity NPC474343
0.7434 Intermediate Similarity NPC253826
0.7431 Intermediate Similarity NPC128496
0.7414 Intermediate Similarity NPC297617
0.7407 Intermediate Similarity NPC470012
0.7407 Intermediate Similarity NPC167877
0.7391 Intermediate Similarity NPC115899
0.7387 Intermediate Similarity NPC472871
0.7387 Intermediate Similarity NPC38232
0.7387 Intermediate Similarity NPC139692
0.7373 Intermediate Similarity NPC475294
0.7373 Intermediate Similarity NPC220974
0.7373 Intermediate Similarity NPC131665
0.7373 Intermediate Similarity NPC255387
0.7373 Intermediate Similarity NPC475176
0.7368 Intermediate Similarity NPC194196
0.7364 Intermediate Similarity NPC175628
0.7364 Intermediate Similarity NPC111585
0.7364 Intermediate Similarity NPC148414
0.7355 Intermediate Similarity NPC470063
0.7355 Intermediate Similarity NPC71348
0.735 Intermediate Similarity NPC472868
0.735 Intermediate Similarity NPC189616
0.7345 Intermediate Similarity NPC471039
0.7339 Intermediate Similarity NPC473229
0.7333 Intermediate Similarity NPC179642
0.7333 Intermediate Similarity NPC470496
0.7333 Intermediate Similarity NPC328052
0.7333 Intermediate Similarity NPC16270
0.7328 Intermediate Similarity NPC136289
0.7328 Intermediate Similarity NPC476081
0.7321 Intermediate Similarity NPC159410
0.7321 Intermediate Similarity NPC57117
0.7321 Intermediate Similarity NPC471040
0.7321 Intermediate Similarity NPC476186
0.7321 Intermediate Similarity NPC471720
0.7317 Intermediate Similarity NPC196931
0.7315 Intermediate Similarity NPC477920
0.7313 Intermediate Similarity NPC246209
0.7311 Intermediate Similarity NPC473482
0.7311 Intermediate Similarity NPC475418
0.7311 Intermediate Similarity NPC318363
0.7311 Intermediate Similarity NPC189075
0.7311 Intermediate Similarity NPC275539
0.7311 Intermediate Similarity NPC306265
0.7304 Intermediate Similarity NPC470074
0.7304 Intermediate Similarity NPC476274
0.7304 Intermediate Similarity NPC471413
0.7304 Intermediate Similarity NPC47024
0.7295 Intermediate Similarity NPC106479
0.729 Intermediate Similarity NPC470011
0.7288 Intermediate Similarity NPC266570
0.7287 Intermediate Similarity NPC204556
0.7281 Intermediate Similarity NPC73911
0.7281 Intermediate Similarity NPC292133
0.7281 Intermediate Similarity NPC108078
0.7281 Intermediate Similarity NPC126815
0.7273 Intermediate Similarity NPC474889
0.7273 Intermediate Similarity NPC66344
0.7273 Intermediate Similarity NPC50488
0.7273 Intermediate Similarity NPC474396
0.7273 Intermediate Similarity NPC73995
0.7273 Intermediate Similarity NPC474315
0.7265 Intermediate Similarity NPC475526
0.7265 Intermediate Similarity NPC329345
0.7265 Intermediate Similarity NPC473283
0.7265 Intermediate Similarity NPC72151
0.7258 Intermediate Similarity NPC473656
0.7258 Intermediate Similarity NPC140055
0.7258 Intermediate Similarity NPC167606
0.7258 Intermediate Similarity NPC286528
0.7258 Intermediate Similarity NPC20302
0.7258 Intermediate Similarity NPC284068
0.7257 Intermediate Similarity NPC84383
0.7257 Intermediate Similarity NPC476174
0.7257 Intermediate Similarity NPC279974
0.725 Intermediate Similarity NPC475941
0.725 Intermediate Similarity NPC475065
0.725 Intermediate Similarity NPC474901
0.7248 Intermediate Similarity NPC181103
0.7248 Intermediate Similarity NPC305029
0.7241 Intermediate Similarity NPC168319
0.7241 Intermediate Similarity NPC194028
0.7241 Intermediate Similarity NPC224720
0.7241 Intermediate Similarity NPC310981
0.7241 Intermediate Similarity NPC476240
0.7241 Intermediate Similarity NPC471412
0.7241 Intermediate Similarity NPC473514
0.7241 Intermediate Similarity NPC81530
0.7241 Intermediate Similarity NPC476223
0.7236 Intermediate Similarity NPC67259
0.7236 Intermediate Similarity NPC147912
0.7236 Intermediate Similarity NPC123117
0.7232 Intermediate Similarity NPC476304
0.7231 Intermediate Similarity NPC476957
0.7227 Intermediate Similarity NPC179380
0.7227 Intermediate Similarity NPC302788
0.7227 Intermediate Similarity NPC110496
0.7217 Intermediate Similarity NPC176845
0.7217 Intermediate Similarity NPC471966
0.7217 Intermediate Similarity NPC473154
0.7217 Intermediate Similarity NPC216478
0.7217 Intermediate Similarity NPC478056
0.7213 Intermediate Similarity NPC285956
0.7213 Intermediate Similarity NPC264634
0.7213 Intermediate Similarity NPC100267
0.7213 Intermediate Similarity NPC475524
0.7209 Intermediate Similarity NPC15095
0.7207 Intermediate Similarity NPC474842
0.7207 Intermediate Similarity NPC475965
0.7207 Intermediate Similarity NPC152467
0.72 Intermediate Similarity NPC475372
0.72 Intermediate Similarity NPC311554
0.72 Intermediate Similarity NPC709
0.72 Intermediate Similarity NPC476956
0.72 Intermediate Similarity NPC50774
0.72 Intermediate Similarity NPC257457
0.7193 Intermediate Similarity NPC78473
0.7193 Intermediate Similarity NPC242848
0.7193 Intermediate Similarity NPC106425
0.7193 Intermediate Similarity NPC134072
0.7193 Intermediate Similarity NPC151725
0.7193 Intermediate Similarity NPC301534
0.7193 Intermediate Similarity NPC250757
0.7193 Intermediate Similarity NPC234993
0.7193 Intermediate Similarity NPC122324
0.719 Intermediate Similarity NPC475134
0.719 Intermediate Similarity NPC475563
0.7182 Intermediate Similarity NPC117122
0.7182 Intermediate Similarity NPC226863
0.7182 Intermediate Similarity NPC277771
0.7182 Intermediate Similarity NPC215831
0.7179 Intermediate Similarity NPC162973
0.7179 Intermediate Similarity NPC475320
0.7179 Intermediate Similarity NPC320447
0.7177 Intermediate Similarity NPC270958
0.7177 Intermediate Similarity NPC469794
0.7177 Intermediate Similarity NPC298278
0.7177 Intermediate Similarity NPC72772
0.7168 Intermediate Similarity NPC294266
0.7168 Intermediate Similarity NPC477130
0.7168 Intermediate Similarity NPC477129
0.7168 Intermediate Similarity NPC124207
0.7167 Intermediate Similarity NPC469844
0.7167 Intermediate Similarity NPC476802
0.7167 Intermediate Similarity NPC89171
0.7167 Intermediate Similarity NPC177064
0.7156 Intermediate Similarity NPC85698
0.7156 Intermediate Similarity NPC185638
0.7156 Intermediate Similarity NPC9231
0.7156 Intermediate Similarity NPC186975
0.7155 Intermediate Similarity NPC476299
0.7155 Intermediate Similarity NPC251680

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC470275 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
0.7456 Intermediate Similarity NPD6404 Discontinued
0.7258 Intermediate Similarity NPD7115 Discovery
0.7257 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7232 Intermediate Similarity NPD6399 Phase 3
0.7217 Intermediate Similarity NPD7638 Approved
0.7155 Intermediate Similarity NPD7640 Approved
0.7155 Intermediate Similarity NPD7639 Approved
0.7069 Intermediate Similarity NPD4225 Approved
0.7018 Intermediate Similarity NPD7748 Approved
0.7 Intermediate Similarity NPD6008 Approved
0.6991 Remote Similarity NPD8035 Phase 2
0.6991 Remote Similarity NPD8034 Phase 2
0.6983 Remote Similarity NPD7902 Approved
0.6897 Remote Similarity NPD4697 Phase 3
0.6885 Remote Similarity NPD6899 Approved
0.6885 Remote Similarity NPD7320 Approved
0.6885 Remote Similarity NPD6881 Approved
0.687 Remote Similarity NPD6001 Approved
0.686 Remote Similarity NPD7128 Approved
0.686 Remote Similarity NPD6402 Approved
0.686 Remote Similarity NPD6675 Approved
0.686 Remote Similarity NPD5739 Approved
0.6855 Remote Similarity NPD6649 Approved
0.6855 Remote Similarity NPD6650 Approved
0.6855 Remote Similarity NPD8130 Phase 1
0.6847 Remote Similarity NPD3618 Phase 1
0.6842 Remote Similarity NPD6079 Approved
0.6829 Remote Similarity NPD6372 Approved
0.6829 Remote Similarity NPD6373 Approved
0.6814 Remote Similarity NPD5328 Approved
0.6803 Remote Similarity NPD5697 Approved
0.68 Remote Similarity NPD8297 Approved
0.6794 Remote Similarity NPD7604 Phase 2
0.6789 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6774 Remote Similarity NPD7290 Approved
0.6774 Remote Similarity NPD6883 Approved
0.6774 Remote Similarity NPD7102 Approved
0.6763 Remote Similarity NPD6333 Approved
0.6763 Remote Similarity NPD6334 Approved
0.6757 Remote Similarity NPD1694 Approved
0.6748 Remote Similarity NPD6011 Approved
0.6726 Remote Similarity NPD6672 Approved
0.6726 Remote Similarity NPD6903 Approved
0.6726 Remote Similarity NPD5737 Approved
0.6724 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6724 Remote Similarity NPD7900 Approved
0.672 Remote Similarity NPD6847 Approved
0.672 Remote Similarity NPD6869 Approved
0.672 Remote Similarity NPD6617 Approved
0.6696 Remote Similarity NPD6409 Approved
0.6696 Remote Similarity NPD7334 Approved
0.6696 Remote Similarity NPD7146 Approved
0.6696 Remote Similarity NPD6684 Approved
0.6696 Remote Similarity NPD5330 Approved
0.6696 Remote Similarity NPD7515 Phase 2
0.6696 Remote Similarity NPD7521 Approved
0.6695 Remote Similarity NPD6084 Phase 2
0.6695 Remote Similarity NPD6083 Phase 2
0.6694 Remote Similarity NPD6013 Approved
0.6694 Remote Similarity NPD6014 Approved
0.6694 Remote Similarity NPD6012 Approved
0.6692 Remote Similarity NPD7507 Approved
0.6667 Remote Similarity NPD4786 Approved
0.6667 Remote Similarity NPD6882 Approved
0.6667 Remote Similarity NPD5701 Approved
0.6641 Remote Similarity NPD6909 Approved
0.6641 Remote Similarity NPD6908 Approved
0.6639 Remote Similarity NPD5696 Approved
0.6612 Remote Similarity NPD7632 Discontinued
0.661 Remote Similarity NPD5222 Approved
0.661 Remote Similarity NPD5221 Approved
0.661 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6607 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6587 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6579 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6555 Remote Similarity NPD5173 Approved
0.6552 Remote Similarity NPD5693 Phase 1
0.6544 Remote Similarity NPD7319 Approved
0.6525 Remote Similarity NPD5695 Phase 3
0.6515 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6512 Remote Similarity NPD6868 Approved
0.6508 Remote Similarity NPD6420 Discontinued
0.6496 Remote Similarity NPD5781 Clinical (unspecified phase)
0.6496 Remote Similarity NPD4202 Approved
0.6486 Remote Similarity NPD3667 Approved
0.6475 Remote Similarity NPD5211 Phase 2
0.6466 Remote Similarity NPD5785 Approved
0.6446 Remote Similarity NPD5286 Approved
0.6446 Remote Similarity NPD5285 Approved
0.6446 Remote Similarity NPD4696 Approved
0.6446 Remote Similarity NPD8418 Phase 2
0.6418 Remote Similarity NPD7122 Discontinued
0.6417 Remote Similarity NPD4755 Approved
0.6412 Remote Similarity NPD6335 Approved
0.6404 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6393 Remote Similarity NPD5223 Approved
0.6387 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6385 Remote Similarity NPD6274 Approved
0.6379 Remote Similarity NPD6080 Approved
0.6379 Remote Similarity NPD6904 Approved
0.6379 Remote Similarity NPD6673 Approved
0.6378 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6372 Remote Similarity NPD3133 Approved
0.6372 Remote Similarity NPD3666 Approved
0.6372 Remote Similarity NPD3665 Phase 1
0.6371 Remote Similarity NPD5141 Approved
0.637 Remote Similarity NPD7492 Approved
0.6364 Remote Similarity NPD7100 Approved
0.6364 Remote Similarity NPD7101 Approved
0.6357 Remote Similarity NPD4632 Approved
0.635 Remote Similarity NPD7736 Approved
0.6349 Remote Similarity NPD6686 Approved
0.6341 Remote Similarity NPD5224 Approved
0.6341 Remote Similarity NPD5225 Approved
0.6341 Remote Similarity NPD5226 Approved
0.6341 Remote Similarity NPD4633 Approved
0.6336 Remote Similarity NPD6317 Approved
0.6331 Remote Similarity NPD7260 Phase 2
0.6325 Remote Similarity NPD5207 Approved
0.6324 Remote Similarity NPD6616 Approved
0.6316 Remote Similarity NPD6054 Approved
0.6311 Remote Similarity NPD4700 Approved
0.6299 Remote Similarity NPD4061 Clinical (unspecified phase)
0.629 Remote Similarity NPD5175 Approved
0.629 Remote Similarity NPD5174 Approved
0.6288 Remote Similarity NPD6314 Approved
0.6288 Remote Similarity NPD6313 Approved
0.6286 Remote Similarity NPD6845 Suspended
0.6279 Remote Similarity NPD6053 Discontinued
0.6277 Remote Similarity NPD8293 Discontinued
0.6277 Remote Similarity NPD8074 Phase 3
0.6277 Remote Similarity NPD7078 Approved
0.6271 Remote Similarity NPD5284 Approved
0.6271 Remote Similarity NPD5281 Approved
0.6269 Remote Similarity NPD8033 Approved
0.625 Remote Similarity NPD5210 Approved
0.625 Remote Similarity NPD4629 Approved
0.6239 Remote Similarity NPD6051 Approved
0.6239 Remote Similarity NPD4753 Phase 2
0.6228 Remote Similarity NPD3668 Phase 3
0.6222 Remote Similarity NPD6370 Approved
0.6212 Remote Similarity NPD6009 Approved
0.6207 Remote Similarity NPD3573 Approved
0.6198 Remote Similarity NPD5349 Clinical (unspecified phase)
0.6195 Remote Similarity NPD4223 Phase 3
0.6195 Remote Similarity NPD4221 Approved
0.6194 Remote Similarity NPD8377 Approved
0.6194 Remote Similarity NPD6059 Approved
0.6194 Remote Similarity NPD8294 Approved
0.6194 Remote Similarity NPD6319 Approved
0.6174 Remote Similarity NPD5329 Approved
0.6167 Remote Similarity NPD5707 Approved
0.6165 Remote Similarity NPD7328 Approved
0.6165 Remote Similarity NPD7327 Approved
0.6161 Remote Similarity NPD7525 Registered
0.616 Remote Similarity NPD6052 Approved
0.616 Remote Similarity NPD4754 Approved
0.6154 Remote Similarity NPD5208 Approved
0.6148 Remote Similarity NPD8335 Approved
0.6148 Remote Similarity NPD5983 Phase 2
0.6148 Remote Similarity NPD8296 Approved
0.6148 Remote Similarity NPD6015 Approved
0.6148 Remote Similarity NPD8380 Approved
0.6148 Remote Similarity NPD8379 Approved
0.6148 Remote Similarity NPD6016 Approved
0.6148 Remote Similarity NPD8378 Approved
0.6142 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6142 Remote Similarity NPD5954 Clinical (unspecified phase)
0.614 Remote Similarity NPD5362 Discontinued
0.6134 Remote Similarity NPD6050 Approved
0.6134 Remote Similarity NPD7637 Suspended
0.6124 Remote Similarity NPD6371 Approved
0.6121 Remote Similarity NPD6098 Approved
0.6121 Remote Similarity NPD5279 Phase 3
0.6119 Remote Similarity NPD7516 Approved
0.6103 Remote Similarity NPD5988 Approved
0.6102 Remote Similarity NPD1695 Approved
0.6094 Remote Similarity NPD4729 Approved
0.6094 Remote Similarity NPD5168 Approved
0.6094 Remote Similarity NPD4730 Approved
0.6094 Remote Similarity NPD5128 Approved
0.6091 Remote Similarity NPD6117 Approved
0.6087 Remote Similarity NPD6336 Discontinued
0.6087 Remote Similarity NPD4197 Approved
0.6067 Remote Similarity NPD7625 Phase 1
0.6066 Remote Similarity NPD7732 Phase 3
0.6066 Remote Similarity NPD7614 Phase 1
0.6063 Remote Similarity NPD4768 Approved
0.6063 Remote Similarity NPD4767 Approved
0.605 Remote Similarity NPD5692 Phase 3
0.6036 Remote Similarity NPD6116 Phase 1
0.6034 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6034 Remote Similarity NPD5363 Approved
0.6018 Remote Similarity NPD4695 Discontinued
0.6016 Remote Similarity NPD6412 Phase 2
0.6 Remote Similarity NPD4634 Approved
0.6 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6 Remote Similarity NPD5135 Approved
0.6 Remote Similarity NPD5250 Approved
0.6 Remote Similarity NPD5249 Phase 3

Structure

External Identifiers

PubChem CID   57396441
ChEMBL   CHEMBL1939895
ZINC  

Physicochemical Properties

Molecular Weight:  537.38
ALogP:  3.4493
MLogP:  4.65
XLogP:  9.425
# Rotatable Bonds:  17
Polar Surface Area:  75.96
# H-Bond Aceptor:  5
# H-Bond Donor:  1
# Rings:  5
# Heavy Atoms:  39

Download Data

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