Natural Product: NPC470277

Natural Product ID:  NPC470277
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C34H45NO6
Standard InCHIKey:  YOZBQJOSNGGTON-HBIAUOCNSA-N
Standard InCHI:  InChI=1S/C34H45NO6/c1-20(18-36)7-6-8-21(2)23-11-13-32(5)25-17-24-29(22(3)30(40)41-24)34(19-33(25,34)16-15-31(23,32)4)14-12-28(39)35-26(37)9-10-27(35)38/h7,18,21,23-25,29H,3,6,8-17,19H2,1-2,4-5H3/b20-7+/t21-,23-,24-,25+,29-,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(=O)N1C(=O)CCC1=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 NPC470277 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
0.8288 Intermediate Similarity NPC470906
0.8099 Intermediate Similarity NPC470276
0.807 Intermediate Similarity NPC176883
0.8036 Intermediate Similarity NPC252295
0.8018 Intermediate Similarity NPC307164
0.8017 Intermediate Similarity NPC470275
0.7807 Intermediate Similarity NPC476303
0.7607 Intermediate Similarity NPC476237
0.7565 Intermediate Similarity NPC473155
0.7321 Intermediate Similarity NPC288699
0.7304 Intermediate Similarity NPC33473
0.7281 Intermediate Similarity NPC474185
0.725 Intermediate Similarity NPC189616
0.7179 Intermediate Similarity NPC110937
0.7167 Intermediate Similarity NPC180204
0.712 Intermediate Similarity NPC69291
0.7119 Intermediate Similarity NPC98868
0.7097 Intermediate Similarity NPC63511
0.7059 Intermediate Similarity NPC201406
0.7049 Intermediate Similarity NPC86906
0.7034 Intermediate Similarity NPC292133
0.7027 Intermediate Similarity NPC470011
0.7025 Intermediate Similarity NPC112009
0.7018 Intermediate Similarity NPC73995
0.7009 Intermediate Similarity NPC293052
0.7009 Intermediate Similarity NPC183012
0.7 Intermediate Similarity NPC194028
0.7 Intermediate Similarity NPC310981
0.7 Intermediate Similarity NPC168319
0.6975 Remote Similarity NPC176845
0.6957 Remote Similarity NPC474842
0.6957 Remote Similarity NPC475965
0.6957 Remote Similarity NPC152467
0.6949 Remote Similarity NPC106425
0.6949 Remote Similarity NPC122324
0.6949 Remote Similarity NPC151725
0.6942 Remote Similarity NPC32577
0.6942 Remote Similarity NPC155332
0.6942 Remote Similarity NPC114540
0.693 Remote Similarity NPC226863
0.693 Remote Similarity NPC215831
0.6929 Remote Similarity NPC473535
0.6923 Remote Similarity NPC477130
0.6923 Remote Similarity NPC294266
0.6923 Remote Similarity NPC269729
0.6923 Remote Similarity NPC470697
0.6923 Remote Similarity NPC477129
0.6911 Remote Similarity NPC470267
0.6911 Remote Similarity NPC127790
0.6905 Remote Similarity NPC470960
0.6899 Remote Similarity NPC473656
0.6897 Remote Similarity NPC49420
0.6897 Remote Similarity NPC476187
0.6897 Remote Similarity NPC470113
0.6891 Remote Similarity NPC23680
0.6891 Remote Similarity NPC2049
0.6891 Remote Similarity NPC226986
0.6885 Remote Similarity NPC120321
0.6885 Remote Similarity NPC36688
0.6885 Remote Similarity NPC254202
0.6885 Remote Similarity NPC36321
0.6875 Remote Similarity NPC219011
0.6875 Remote Similarity NPC100391
0.6875 Remote Similarity NPC123117
0.6864 Remote Similarity NPC280877
0.6864 Remote Similarity NPC274417
0.686 Remote Similarity NPC118174
0.686 Remote Similarity NPC303559
0.6855 Remote Similarity NPC220974
0.6847 Remote Similarity NPC226988
0.6846 Remote Similarity NPC475372
0.6842 Remote Similarity NPC175293
0.6838 Remote Similarity NPC470224
0.6838 Remote Similarity NPC229976
0.6838 Remote Similarity NPC475657
0.6833 Remote Similarity NPC57079
0.6833 Remote Similarity NPC108368
0.6829 Remote Similarity NPC470297
0.6825 Remote Similarity NPC179642
0.6825 Remote Similarity NPC470496
0.681 Remote Similarity NPC471896
0.681 Remote Similarity NPC161638
0.681 Remote Similarity NPC101651
0.681 Remote Similarity NPC159748
0.6807 Remote Similarity NPC327788
0.6797 Remote Similarity NPC122056
0.6794 Remote Similarity NPC475520
0.6794 Remote Similarity NPC312536
0.6786 Remote Similarity NPC194637
0.6783 Remote Similarity NPC477128
0.6783 Remote Similarity NPC80335
0.678 Remote Similarity NPC473280
0.678 Remote Similarity NPC473431
0.678 Remote Similarity NPC159410
0.678 Remote Similarity NPC471078
0.678 Remote Similarity NPC473435
0.6777 Remote Similarity NPC475392
0.6777 Remote Similarity NPC475202
0.6777 Remote Similarity NPC475385
0.6777 Remote Similarity NPC266955
0.6777 Remote Similarity NPC35751
0.6774 Remote Similarity NPC233256
0.6774 Remote Similarity NPC195841
0.6774 Remote Similarity NPC173172
0.6774 Remote Similarity NPC475414
0.6772 Remote Similarity NPC79238
0.6769 Remote Similarity NPC284068
0.6765 Remote Similarity NPC478136
0.6754 Remote Similarity NPC264127
0.6752 Remote Similarity NPC233345
0.6752 Remote Similarity NPC26888
0.6752 Remote Similarity NPC186363
0.6752 Remote Similarity NPC72845
0.6752 Remote Similarity NPC190442
0.675 Remote Similarity NPC291634
0.675 Remote Similarity NPC474343
0.675 Remote Similarity NPC151488
0.675 Remote Similarity NPC253826
0.6748 Remote Similarity NPC329345
0.6748 Remote Similarity NPC297617
0.6748 Remote Similarity NPC475526
0.6748 Remote Similarity NPC473283
0.6744 Remote Similarity NPC90472
0.6741 Remote Similarity NPC15095
0.6726 Remote Similarity NPC96055
0.6724 Remote Similarity NPC128496
0.6724 Remote Similarity NPC177141
0.6723 Remote Similarity NPC84383
0.6721 Remote Similarity NPC473514
0.6721 Remote Similarity NPC115899
0.672 Remote Similarity NPC255387
0.672 Remote Similarity NPC131665
0.672 Remote Similarity NPC475176
0.672 Remote Similarity NPC475294
0.6719 Remote Similarity NPC285956
0.6719 Remote Similarity NPC71348
0.6719 Remote Similarity NPC470063
0.6718 Remote Similarity NPC473720
0.6696 Remote Similarity NPC470012
0.6696 Remote Similarity NPC167877
0.6696 Remote Similarity NPC178676
0.6695 Remote Similarity NPC475700
0.6695 Remote Similarity NPC38232
0.6695 Remote Similarity NPC139692
0.6695 Remote Similarity NPC79117
0.6695 Remote Similarity NPC472871
0.6694 Remote Similarity NPC119329
0.6694 Remote Similarity NPC164835
0.6694 Remote Similarity NPC194196
0.6694 Remote Similarity NPC472228
0.6694 Remote Similarity NPC472227
0.6694 Remote Similarity NPC472868
0.6694 Remote Similarity NPC228669
0.6693 Remote Similarity NPC16270
0.6693 Remote Similarity NPC328052
0.6692 Remote Similarity NPC196931
0.6667 Remote Similarity NPC328141
0.6667 Remote Similarity NPC475776
0.6667 Remote Similarity NPC148414
0.6667 Remote Similarity NPC475418
0.6667 Remote Similarity NPC476802
0.6667 Remote Similarity NPC471039
0.6667 Remote Similarity NPC320447
0.6667 Remote Similarity NPC308351
0.6667 Remote Similarity NPC136289
0.6667 Remote Similarity NPC89171
0.6667 Remote Similarity NPC473482
0.6667 Remote Similarity NPC212679
0.6667 Remote Similarity NPC470223
0.6667 Remote Similarity NPC271266
0.6667 Remote Similarity NPC61411
0.6667 Remote Similarity NPC220454
0.6667 Remote Similarity NPC318363
0.6667 Remote Similarity NPC189075
0.6667 Remote Similarity NPC306265
0.6667 Remote Similarity NPC275539
0.6667 Remote Similarity NPC111585
0.6667 Remote Similarity NPC470495
0.6667 Remote Similarity NPC321197
0.6667 Remote Similarity NPC469595
0.6667 Remote Similarity NPC476081
0.6667 Remote Similarity NPC302280
0.6667 Remote Similarity NPC175628
0.6667 Remote Similarity NPC470120
0.6641 Remote Similarity NPC167606
0.6641 Remote Similarity NPC286528
0.6641 Remote Similarity NPC140055
0.6641 Remote Similarity NPC474315
0.6641 Remote Similarity NPC243065
0.6641 Remote Similarity NPC20302
0.6641 Remote Similarity NPC58281
0.664 Remote Similarity NPC469874
0.664 Remote Similarity NPC266570
0.6639 Remote Similarity NPC57117
0.6639 Remote Similarity NPC239768
0.6639 Remote Similarity NPC38830
0.6639 Remote Similarity NPC471720
0.6639 Remote Similarity NPC476186
0.6639 Remote Similarity NPC471040
0.6639 Remote Similarity NPC471413

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC470277 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
0.7009 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.6774 Remote Similarity NPD6008 Approved
0.6695 Remote Similarity NPD6399 Phase 3
0.6641 Remote Similarity NPD7115 Discovery
0.6639 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6639 Remote Similarity NPD6001 Approved
0.6639 Remote Similarity NPD7900 Approved
0.6557 Remote Similarity NPD7638 Approved
0.6549 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6529 Remote Similarity NPD5349 Clinical (unspecified phase)
0.6522 Remote Similarity NPD1694 Approved
0.6504 Remote Similarity NPD7639 Approved
0.6504 Remote Similarity NPD7640 Approved
0.6496 Remote Similarity NPD6903 Approved
0.6496 Remote Similarity NPD5737 Approved
0.6496 Remote Similarity NPD6672 Approved
0.6475 Remote Similarity NPD7902 Approved
0.6471 Remote Similarity NPD8034 Phase 2
0.6471 Remote Similarity NPD8035 Phase 2
0.6471 Remote Similarity NPD7122 Discontinued
0.6466 Remote Similarity NPD6684 Approved
0.6466 Remote Similarity NPD7146 Approved
0.6466 Remote Similarity NPD5330 Approved
0.6466 Remote Similarity NPD7521 Approved
0.6466 Remote Similarity NPD7334 Approved
0.6466 Remote Similarity NPD6409 Approved
0.6423 Remote Similarity NPD4225 Approved
0.6393 Remote Similarity NPD4697 Phase 3
0.6385 Remote Similarity NPD6650 Approved
0.6385 Remote Similarity NPD6649 Approved
0.6364 Remote Similarity NPD7748 Approved
0.6357 Remote Similarity NPD6372 Approved
0.6357 Remote Similarity NPD6373 Approved
0.6356 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6338 Remote Similarity NPD6845 Suspended
0.6333 Remote Similarity NPD5693 Phase 1
0.6324 Remote Similarity NPD6908 Approved
0.6324 Remote Similarity NPD6909 Approved
0.6279 Remote Similarity NPD7320 Approved
0.6279 Remote Similarity NPD6881 Approved
0.6279 Remote Similarity NPD6899 Approved
0.626 Remote Similarity NPD8130 Phase 1
0.625 Remote Similarity NPD6402 Approved
0.625 Remote Similarity NPD6675 Approved
0.625 Remote Similarity NPD5739 Approved
0.625 Remote Similarity NPD7128 Approved
0.6232 Remote Similarity NPD7604 Phase 2
0.6212 Remote Similarity NPD8297 Approved
0.6202 Remote Similarity NPD5697 Approved
0.6198 Remote Similarity NPD6079 Approved
0.6186 Remote Similarity NPD3618 Phase 1
0.6183 Remote Similarity NPD7290 Approved
0.6183 Remote Similarity NPD6883 Approved
0.6183 Remote Similarity NPD7102 Approved
0.6167 Remote Similarity NPD6080 Approved
0.6167 Remote Similarity NPD5328 Approved
0.6167 Remote Similarity NPD6904 Approved
0.6167 Remote Similarity NPD6673 Approved
0.6154 Remote Similarity NPD6011 Approved
0.6143 Remote Similarity NPD7507 Approved
0.6136 Remote Similarity NPD6617 Approved
0.6136 Remote Similarity NPD6847 Approved
0.6136 Remote Similarity NPD6869 Approved
0.6124 Remote Similarity NPD7333 Discontinued
0.6116 Remote Similarity NPD5207 Approved
0.6107 Remote Similarity NPD6013 Approved
0.6107 Remote Similarity NPD6012 Approved
0.6107 Remote Similarity NPD6014 Approved
0.609 Remote Similarity NPD6882 Approved
0.608 Remote Similarity NPD6084 Phase 2
0.608 Remote Similarity NPD6083 Phase 2
0.6077 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6077 Remote Similarity NPD5701 Approved
0.6066 Remote Similarity NPD7515 Phase 2
0.6042 Remote Similarity NPD7260 Phase 2
0.6033 Remote Similarity NPD6051 Approved
0.6032 Remote Similarity NPD5696 Approved
0.6017 Remote Similarity NPD4786 Approved
0.6016 Remote Similarity NPD7632 Discontinued
0.6015 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6014 Remote Similarity NPD7319 Approved
0.6 Remote Similarity NPD5222 Approved
0.6 Remote Similarity NPD3573 Approved
0.6 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6 Remote Similarity NPD5221 Approved
0.5971 Remote Similarity NPD6291 Clinical (unspecified phase)
0.5969 Remote Similarity NPD6052 Approved
0.5966 Remote Similarity NPD7520 Clinical (unspecified phase)
0.5956 Remote Similarity NPD6868 Approved
0.5952 Remote Similarity NPD5173 Approved
0.595 Remote Similarity NPD5208 Approved
0.5942 Remote Similarity NPD7518 Approved
0.5942 Remote Similarity NPD7517 Approved
0.5942 Remote Similarity NPD7519 Approved
0.594 Remote Similarity NPD5955 Clinical (unspecified phase)
0.5935 Remote Similarity NPD6050 Approved
0.592 Remote Similarity NPD5695 Phase 3
0.5917 Remote Similarity NPD6098 Approved
0.5902 Remote Similarity NPD1695 Approved
0.5891 Remote Similarity NPD5211 Phase 2
0.5887 Remote Similarity NPD4202 Approved
0.5882 Remote Similarity NPD3668 Phase 3
0.5874 Remote Similarity NPD7078 Approved
0.5873 Remote Similarity NPD7732 Phase 3
0.587 Remote Similarity NPD6335 Approved
0.5859 Remote Similarity NPD5285 Approved
0.5859 Remote Similarity NPD5286 Approved
0.5859 Remote Similarity NPD4696 Approved
0.5859 Remote Similarity NPD6404 Discontinued
0.5854 Remote Similarity NPD5785 Approved
0.5854 Remote Similarity NPD5692 Phase 3
0.5847 Remote Similarity NPD3667 Approved
0.5845 Remote Similarity NPD7492 Approved
0.5839 Remote Similarity NPD6274 Approved
0.5833 Remote Similarity NPD7736 Approved
0.5827 Remote Similarity NPD7101 Approved
0.5827 Remote Similarity NPD7100 Approved
0.5827 Remote Similarity NPD4755 Approved
0.5814 Remote Similarity NPD5223 Approved
0.5809 Remote Similarity NPD4632 Approved
0.5806 Remote Similarity NPD5694 Approved
0.5804 Remote Similarity NPD6616 Approved
0.5802 Remote Similarity NPD5141 Approved
0.58 Remote Similarity NPD6334 Approved
0.58 Remote Similarity NPD6333 Approved
0.5797 Remote Similarity NPD6317 Approved
0.5794 Remote Similarity NPD1698 Clinical (unspecified phase)
0.5789 Remote Similarity NPD6686 Approved
0.5786 Remote Similarity NPD6054 Approved
0.5785 Remote Similarity NPD3574 Clinical (unspecified phase)
0.5769 Remote Similarity NPD5225 Approved
0.5769 Remote Similarity NPD4633 Approved
0.5769 Remote Similarity NPD5226 Approved
0.5769 Remote Similarity NPD5224 Approved
0.5764 Remote Similarity NPD8293 Discontinued
0.5755 Remote Similarity NPD6313 Approved
0.5755 Remote Similarity NPD6314 Approved
0.575 Remote Similarity NPD3133 Approved
0.575 Remote Similarity NPD3665 Phase 1
0.575 Remote Similarity NPD3666 Approved
0.5746 Remote Similarity NPD4061 Clinical (unspecified phase)
0.5745 Remote Similarity NPD8033 Approved
0.5736 Remote Similarity NPD4700 Approved
0.5735 Remote Similarity NPD6053 Discontinued
0.5725 Remote Similarity NPD5175 Approved
0.5725 Remote Similarity NPD5174 Approved
0.5724 Remote Similarity NPD8337 Approved
0.5724 Remote Similarity NPD8336 Approved
0.5714 Remote Similarity NPD6614 Approved
0.5704 Remote Similarity NPD6370 Approved
0.5703 Remote Similarity NPD5959 Approved
0.5683 Remote Similarity NPD6009 Approved
0.568 Remote Similarity NPD5281 Approved
0.568 Remote Similarity NPD5284 Approved
0.5676 Remote Similarity NPD8338 Approved
0.5674 Remote Similarity NPD6059 Approved
0.5674 Remote Similarity NPD6319 Approved
0.5674 Remote Similarity NPD8377 Approved
0.5674 Remote Similarity NPD8294 Approved
0.5669 Remote Similarity NPD5210 Approved
0.5669 Remote Similarity NPD4629 Approved
0.5646 Remote Similarity NPD7751 Phase 1
0.5645 Remote Similarity NPD4753 Phase 2
0.5643 Remote Similarity NPD7328 Approved
0.5643 Remote Similarity NPD7327 Approved
0.5635 Remote Similarity NPD5781 Clinical (unspecified phase)
0.5634 Remote Similarity NPD8380 Approved
0.5634 Remote Similarity NPD8296 Approved
0.5634 Remote Similarity NPD8379 Approved
0.5634 Remote Similarity NPD6015 Approved
0.5634 Remote Similarity NPD8335 Approved
0.5634 Remote Similarity NPD5983 Phase 2
0.5634 Remote Similarity NPD6016 Approved
0.5634 Remote Similarity NPD8378 Approved
0.5606 Remote Similarity NPD4754 Approved
0.5603 Remote Similarity NPD7516 Approved

Structure

External Identifiers

PubChem CID   57396442
ChEMBL   CHEMBL1939897
ZINC  

Physicochemical Properties

Molecular Weight:  563.32
ALogP:  1.6851
MLogP:  4.43
XLogP:  7.28
# Rotatable Bonds:  13
Polar Surface Area:  97.82
# H-Bond Aceptor:  7
# H-Bond Donor:  0
# Rings:  6
# Heavy Atoms:  41

Download Data

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