Natural Product: NPC477369

Natural Product ID:  NPC477369
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C35H44O5
Standard InCHIKey:  MXEVRBCQVDKHEV-HAYWDCGVSA-N
Standard InCHI:  InChI=1S/C35H44O5/c1-21(2)38-31-23(5)15-17-27-28(34(27,8)9)19-24(6)33(37)35(20-25(7)32(30(31)35)39-22(3)4)40-29(36)18-16-26-13-11-10-12-14-26/h10-16,18-19,25,27-28,30-32H,1,3,17,20H2,2,4-9H3/b18-16+,23-15-,24-19+/t25-,27-,28-,30-,31-,32-,35+/m0/s1
Canonical SMILES:  CC(=C)O[C@H]1[C@@H](C)C[C@]2([C@H]1[C@@H](OC(=C)C)/C(=CC[C@H]1[C@H](/C=C(/C2=O)C)C1(C)C)/C)OC(=O)/C=C/c1ccccc1
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
NPO28682 Jatropha multifida Species Euphorbiaceae Eukaryota stems Botanical Garden, Osmania University, Hyderabad, Andhra Pradesh 2006-AUG PMID[21534583]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT177 Tissue Aorta Rattus norvegicus Activity < 30 % 21534583

  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 NPC477369 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
0.9915 High Similarity NPC8990
0.9431 High Similarity NPC475671
0.9431 High Similarity NPC475452
0.9426 High Similarity NPC477370
0.9421 High Similarity NPC477363
0.9421 High Similarity NPC477366
0.9417 High Similarity NPC477362
0.935 High Similarity NPC37968
0.9344 High Similarity NPC477357
0.9344 High Similarity NPC477365
0.9274 High Similarity NPC42234
0.9127 High Similarity NPC477360
0.9062 High Similarity NPC270364
0.8992 High Similarity NPC477358
0.8984 High Similarity NPC477368
0.8915 High Similarity NPC477367
0.8915 High Similarity NPC232888
0.8906 High Similarity NPC477364
0.8855 High Similarity NPC276652
0.8837 High Similarity NPC477359
0.8819 High Similarity NPC122504
0.8819 High Similarity NPC3450
0.8769 High Similarity NPC475262
0.8769 High Similarity NPC265459
0.8769 High Similarity NPC290833
0.8722 High Similarity NPC473654
0.8702 High Similarity NPC285221
0.8702 High Similarity NPC194769
0.8692 High Similarity NPC472250
0.8672 High Similarity NPC272946
0.8636 High Similarity NPC86772
0.8593 High Similarity NPC477094
0.8593 High Similarity NPC477096
0.8571 High Similarity NPC272523
0.8571 High Similarity NPC325805
0.8507 High Similarity NPC251294
0.8507 High Similarity NPC475660
0.8485 Intermediate Similarity NPC472247
0.8467 Intermediate Similarity NPC471162
0.8456 Intermediate Similarity NPC82467
0.8444 Intermediate Similarity NPC473497
0.8406 Intermediate Similarity NPC477095
0.8346 Intermediate Similarity NPC79699
0.8321 Intermediate Similarity NPC153214
0.8321 Intermediate Similarity NPC45307
0.8309 Intermediate Similarity NPC475413
0.8309 Intermediate Similarity NPC474303
0.8227 Intermediate Similarity NPC125033
0.8227 Intermediate Similarity NPC477097
0.8227 Intermediate Similarity NPC477101
0.8227 Intermediate Similarity NPC477099
0.8143 Intermediate Similarity NPC170668
0.8106 Intermediate Similarity NPC475508
0.8099 Intermediate Similarity NPC232583
0.8099 Intermediate Similarity NPC25484
0.8085 Intermediate Similarity NPC205389
0.8056 Intermediate Similarity NPC477100
0.8056 Intermediate Similarity NPC477098
0.8043 Intermediate Similarity NPC187566
0.8 Intermediate Similarity NPC153617
0.8 Intermediate Similarity NPC4242
0.8 Intermediate Similarity NPC471911
0.7985 Intermediate Similarity NPC233860
0.7926 Intermediate Similarity NPC472248
0.7883 Intermediate Similarity NPC202729
0.7868 Intermediate Similarity NPC28836
0.7868 Intermediate Similarity NPC298547
0.7868 Intermediate Similarity NPC134937
0.7868 Intermediate Similarity NPC324898
0.7852 Intermediate Similarity NPC233692
0.7852 Intermediate Similarity NPC239358
0.7826 Intermediate Similarity NPC27721
0.7826 Intermediate Similarity NPC184109
0.781 Intermediate Similarity NPC149401
0.781 Intermediate Similarity NPC200154
0.781 Intermediate Similarity NPC279637
0.7803 Intermediate Similarity NPC476599
0.7786 Intermediate Similarity NPC242355
0.7752 Intermediate Similarity NPC473243
0.7737 Intermediate Similarity NPC311492
0.7714 Intermediate Similarity NPC473440
0.7698 Intermediate Similarity NPC327511
0.7698 Intermediate Similarity NPC205305
0.7676 Intermediate Similarity NPC191387
0.7676 Intermediate Similarity NPC131966
0.7656 Intermediate Similarity NPC94425
0.7647 Intermediate Similarity NPC470278
0.7643 Intermediate Similarity NPC53361
0.7643 Intermediate Similarity NPC121268
0.7643 Intermediate Similarity NPC473301
0.7626 Intermediate Similarity NPC217673
0.7626 Intermediate Similarity NPC52523
0.7612 Intermediate Similarity NPC473423
0.7612 Intermediate Similarity NPC472706
0.7606 Intermediate Similarity NPC183540
0.7606 Intermediate Similarity NPC63737
0.7606 Intermediate Similarity NPC475135
0.7584 Intermediate Similarity NPC70344
0.7556 Intermediate Similarity NPC472707
0.7538 Intermediate Similarity NPC472708
0.7519 Intermediate Similarity NPC472704
0.7519 Intermediate Similarity NPC152812
0.7518 Intermediate Similarity NPC472418
0.75 Intermediate Similarity NPC471912
0.75 Intermediate Similarity NPC80895
0.75 Intermediate Similarity NPC40178
0.75 Intermediate Similarity NPC469636
0.7483 Intermediate Similarity NPC140021
0.7482 Intermediate Similarity NPC322503
0.7482 Intermediate Similarity NPC329913
0.7482 Intermediate Similarity NPC470143
0.7481 Intermediate Similarity NPC475804
0.7481 Intermediate Similarity NPC475827
0.7481 Intermediate Similarity NPC48992
0.7481 Intermediate Similarity NPC474223
0.7481 Intermediate Similarity NPC474222
0.748 Intermediate Similarity NPC307651
0.7451 Intermediate Similarity NPC55744
0.7448 Intermediate Similarity NPC277053
0.7448 Intermediate Similarity NPC134131
0.7448 Intermediate Similarity NPC301946
0.7448 Intermediate Similarity NPC25043
0.7444 Intermediate Similarity NPC474254
0.7444 Intermediate Similarity NPC474159
0.7444 Intermediate Similarity NPC472703
0.7426 Intermediate Similarity NPC195224
0.7424 Intermediate Similarity NPC50872
0.7419 Intermediate Similarity NPC47536
0.7413 Intermediate Similarity NPC471862
0.741 Intermediate Similarity NPC472656
0.7407 Intermediate Similarity NPC470818
0.7402 Intermediate Similarity NPC161611
0.7397 Intermediate Similarity NPC475552
0.7388 Intermediate Similarity NPC473881
0.7388 Intermediate Similarity NPC12881
0.7388 Intermediate Similarity NPC469742
0.7388 Intermediate Similarity NPC140118
0.7383 Intermediate Similarity NPC138641
0.7383 Intermediate Similarity NPC22571
0.7383 Intermediate Similarity NPC283875
0.7383 Intermediate Similarity NPC469648
0.7383 Intermediate Similarity NPC469647
0.7381 Intermediate Similarity NPC477247
0.7364 Intermediate Similarity NPC9274
0.7361 Intermediate Similarity NPC51181
0.7361 Intermediate Similarity NPC471856
0.7357 Intermediate Similarity NPC203486
0.7357 Intermediate Similarity NPC126516
0.735 Intermediate Similarity NPC202824
0.735 Intermediate Similarity NPC477361
0.7339 Intermediate Similarity NPC470192
0.7338 Intermediate Similarity NPC475536
0.7338 Intermediate Similarity NPC469499
0.7338 Intermediate Similarity NPC165234
0.7333 Intermediate Similarity NPC472693
0.7333 Intermediate Similarity NPC145052
0.7333 Intermediate Similarity NPC472694
0.7329 Intermediate Similarity NPC471100
0.7329 Intermediate Similarity NPC471107
0.7323 Intermediate Similarity NPC270699
0.7323 Intermediate Similarity NPC82899
0.7319 Intermediate Similarity NPC471832
0.7319 Intermediate Similarity NPC49272
0.7315 Intermediate Similarity NPC472398
0.7311 Intermediate Similarity NPC477354
0.731 Intermediate Similarity NPC284957
0.731 Intermediate Similarity NPC95449
0.7297 Intermediate Similarity NPC473403
0.7295 Intermediate Similarity NPC118405
0.729 Intermediate Similarity NPC473641
0.729 Intermediate Similarity NPC475505
0.729 Intermediate Similarity NPC475464
0.729 Intermediate Similarity NPC473797
0.729 Intermediate Similarity NPC475300
0.729 Intermediate Similarity NPC475437
0.7286 Intermediate Similarity NPC15850
0.7285 Intermediate Similarity NPC469456
0.728 Intermediate Similarity NPC20485
0.7279 Intermediate Similarity NPC473082
0.7273 Intermediate Similarity NPC204784
0.7273 Intermediate Similarity NPC170718
0.7267 Intermediate Similarity NPC233581
0.7267 Intermediate Similarity NPC145649
0.7258 Intermediate Similarity NPC321670
0.7248 Intermediate Similarity NPC254558
0.7246 Intermediate Similarity NPC225103
0.7244 Intermediate Similarity NPC305912
0.7244 Intermediate Similarity NPC1082
0.7237 Intermediate Similarity NPC11410
0.7231 Intermediate Similarity NPC216387
0.7231 Intermediate Similarity NPC476476
0.7214 Intermediate Similarity NPC475493
0.7214 Intermediate Similarity NPC238370
0.7214 Intermediate Similarity NPC209851
0.7214 Intermediate Similarity NPC475569
0.7206 Intermediate Similarity NPC246166
0.7206 Intermediate Similarity NPC284022
0.72 Intermediate Similarity NPC51602
0.72 Intermediate Similarity NPC477251
0.72 Intermediate Similarity NPC329705

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC477369 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
0.7869 Intermediate Similarity NPD2067 Discontinued
0.7817 Intermediate Similarity NPD7236 Approved
0.7551 Intermediate Similarity NPD7239 Suspended
0.754 Intermediate Similarity NPD7094 Approved
0.754 Intermediate Similarity NPD6858 Approved
0.7536 Intermediate Similarity NPD7966 Clinical (unspecified phase)
0.748 Intermediate Similarity NPD6685 Approved
0.7424 Intermediate Similarity NPD7457 Clinical (unspecified phase)
0.7377 Intermediate Similarity NPD5738 Clinical (unspecified phase)
0.7338 Intermediate Similarity NPD7961 Discontinued
0.7244 Intermediate Similarity NPD2181 Clinical (unspecified phase)
0.7236 Intermediate Similarity NPD6647 Phase 2
0.7236 Intermediate Similarity NPD5765 Approved
0.7154 Intermediate Similarity NPD690 Clinical (unspecified phase)
0.7101 Intermediate Similarity NPD6007 Clinical (unspecified phase)
0.7097 Intermediate Similarity NPD7058 Phase 2
0.7097 Intermediate Similarity NPD7057 Phase 3
0.7087 Intermediate Similarity NPD2182 Approved
0.7054 Intermediate Similarity NPD6912 Phase 3
0.6978 Remote Similarity NPD6085 Phase 2
0.6978 Remote Similarity NPD5740 Clinical (unspecified phase)
0.6914 Remote Similarity NPD7799 Discontinued
0.6905 Remote Similarity NPD5909 Discontinued
0.6879 Remote Similarity NPD7055 Discontinued
0.6838 Remote Similarity NPD3412 Clinical (unspecified phase)
0.6812 Remote Similarity NPD6637 Approved
0.6772 Remote Similarity NPD164 Approved
0.6767 Remote Similarity NPD2629 Approved
0.675 Remote Similarity NPD3672 Approved
0.675 Remote Similarity NPD3673 Approved
0.6735 Remote Similarity NPD7305 Phase 1
0.6721 Remote Similarity NPD5122 Clinical (unspecified phase)
0.672 Remote Similarity NPD7798 Approved
0.6716 Remote Similarity NPD4198 Discontinued
0.6667 Remote Similarity NPD6362 Approved
0.6667 Remote Similarity NPD1609 Clinical (unspecified phase)
0.6644 Remote Similarity NPD6005 Phase 3
0.6644 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6644 Remote Similarity NPD6004 Phase 3
0.6644 Remote Similarity NPD6355 Discontinued
0.6644 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6644 Remote Similarity NPD6002 Phase 3
0.6642 Remote Similarity NPD4766 Approved
0.6619 Remote Similarity NPD6287 Discontinued
0.6599 Remote Similarity NPD6653 Approved
0.6587 Remote Similarity NPD2066 Phase 3
0.6569 Remote Similarity NPD7741 Discontinued
0.6567 Remote Similarity NPD6010 Discontinued
0.6532 Remote Similarity NPD1693 Approved
0.6522 Remote Similarity NPD5585 Approved
0.6507 Remote Similarity NPD6663 Approved
0.6507 Remote Similarity NPD8032 Phase 2
0.6503 Remote Similarity NPD5647 Approved
0.65 Remote Similarity NPD1282 Approved
0.6489 Remote Similarity NPD6899 Approved
0.6489 Remote Similarity NPD6881 Approved
0.6483 Remote Similarity NPD5952 Clinical (unspecified phase)
0.648 Remote Similarity NPD1989 Approved
0.6474 Remote Similarity NPD7606 Phase 3
0.6467 Remote Similarity NPD7137 Phase 2
0.6466 Remote Similarity NPD6649 Approved
0.6466 Remote Similarity NPD8130 Phase 1
0.6466 Remote Similarity NPD6650 Approved
0.6462 Remote Similarity NPD5048 Discontinued
0.6458 Remote Similarity NPD5736 Approved
0.6458 Remote Similarity NPD7084 Phase 3
0.6457 Remote Similarity NPD1238 Approved
0.6449 Remote Similarity NPD7009 Phase 2
0.6444 Remote Similarity NPD2650 Approved
0.6444 Remote Similarity NPD2652 Approved
0.6439 Remote Similarity NPD6831 Clinical (unspecified phase)
0.6434 Remote Similarity NPD1929 Approved
0.6434 Remote Similarity NPD1931 Clinical (unspecified phase)
0.6434 Remote Similarity NPD1930 Approved
0.6418 Remote Similarity NPD8297 Approved
0.6412 Remote Similarity NPD5697 Approved
0.641 Remote Similarity NPD6273 Approved
0.6391 Remote Similarity NPD7102 Approved
0.6391 Remote Similarity NPD4233 Approved
0.6391 Remote Similarity NPD7290 Approved
0.6391 Remote Similarity NPD4234 Approved
0.6391 Remote Similarity NPD6883 Approved
0.6378 Remote Similarity NPD5926 Approved
0.6377 Remote Similarity NPD6065 Approved
0.6377 Remote Similarity NPD7610 Discontinued
0.6371 Remote Similarity NPD1088 Approved
0.6364 Remote Similarity NPD1087 Approved
0.6364 Remote Similarity NPD5667 Approved
0.6364 Remote Similarity NPD3887 Approved
0.6364 Remote Similarity NPD1876 Approved
0.6353 Remote Similarity NPD7685 Pre-registration
0.6353 Remote Similarity NPD6765 Approved
0.6353 Remote Similarity NPD6764 Approved
0.635 Remote Similarity NPD3317 Approved
0.6343 Remote Similarity NPD6847 Approved
0.6343 Remote Similarity NPD4141 Clinical (unspecified phase)
0.6343 Remote Similarity NPD6617 Approved
0.6343 Remote Similarity NPD6869 Approved
0.6338 Remote Similarity NPD3972 Approved
0.6336 Remote Similarity NPD5739 Approved
0.6336 Remote Similarity NPD6675 Approved
0.6336 Remote Similarity NPD7128 Approved
0.6336 Remote Similarity NPD6402 Approved
0.6319 Remote Similarity NPD3267 Approved
0.6319 Remote Similarity NPD3266 Approved
0.6316 Remote Similarity NPD6373 Approved
0.6316 Remote Similarity NPD7702 Clinical (unspecified phase)
0.6316 Remote Similarity NPD6014 Approved
0.6316 Remote Similarity NPD6372 Approved
0.6316 Remote Similarity NPD5762 Approved
0.6316 Remote Similarity NPD5763 Approved
0.6316 Remote Similarity NPD6012 Approved
0.6316 Remote Similarity NPD6013 Approved
0.6299 Remote Similarity NPD4628 Phase 3
0.6299 Remote Similarity NPD8166 Discontinued
0.6296 Remote Similarity NPD6882 Approved
0.6294 Remote Similarity NPD4359 Approved
0.629 Remote Similarity NPD6050 Approved
0.629 Remote Similarity NPD5694 Approved
0.629 Remote Similarity NPD5693 Phase 1
0.6282 Remote Similarity NPD7478 Approved
0.6268 Remote Similarity NPD4806 Approved
0.6268 Remote Similarity NPD4807 Approved
0.6264 Remote Similarity NPD8424 Clinical (unspecified phase)
0.626 Remote Similarity NPD5346 Phase 2
0.626 Remote Similarity NPD1237 Approved
0.626 Remote Similarity NPD5347 Phase 2
0.6259 Remote Similarity NPD7008 Discontinued
0.6258 Remote Similarity NPD6190 Approved
0.6257 Remote Similarity NPD8368 Discontinued
0.625 Remote Similarity NPD6599 Discontinued
0.625 Remote Similarity NPD9495 Approved
0.6243 Remote Similarity NPD8407 Phase 2
0.6241 Remote Similarity NPD5306 Approved
0.6241 Remote Similarity NPD5305 Approved
0.6241 Remote Similarity NPD7320 Approved
0.6241 Remote Similarity NPD6011 Approved
0.6241 Remote Similarity NPD6406 Approved
0.6235 Remote Similarity NPD5760 Phase 2
0.6235 Remote Similarity NPD5761 Phase 2
0.6233 Remote Similarity NPD3662 Phase 3
0.6233 Remote Similarity NPD3664 Approved
0.6233 Remote Similarity NPD3663 Approved
0.6233 Remote Similarity NPD3661 Approved
0.6231 Remote Similarity NPD1932 Approved
0.6221 Remote Similarity NPD7962 Phase 2
0.6216 Remote Similarity NPD3268 Approved
0.621 Remote Similarity NPD1090 Approved
0.621 Remote Similarity NPD1089 Approved
0.621 Remote Similarity NPD5692 Phase 3
0.621 Remote Similarity NPD5785 Approved
0.621 Remote Similarity NPD1086 Approved
0.6209 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6207 Remote Similarity NPD8055 Clinical (unspecified phase)
0.6207 Remote Similarity NPD6785 Approved
0.6207 Remote Similarity NPD6784 Approved
0.6205 Remote Similarity NPD8127 Discontinued
0.6194 Remote Similarity NPD2329 Discontinued
0.619 Remote Similarity NPD6832 Phase 2
0.6187 Remote Similarity NPD4230 Clinical (unspecified phase)
0.6182 Remote Similarity NPD5537 Clinical (unspecified phase)
0.6176 Remote Similarity NPD969 Suspended
0.6174 Remote Similarity NPD7713 Phase 3
0.6174 Remote Similarity NPD6233 Phase 2
0.6174 Remote Similarity NPD4870 Approved
0.6172 Remote Similarity NPD6084 Phase 2
0.6172 Remote Similarity NPD6083 Phase 2
0.6171 Remote Similarity NPD8434 Phase 2
0.6165 Remote Similarity NPD5701 Approved
0.6165 Remote Similarity NPD3134 Approved
0.6164 Remote Similarity NPD2788 Approved
0.6159 Remote Similarity NPD5951 Approved
0.6154 Remote Similarity NPD225 Approved
0.6154 Remote Similarity NPD227 Approved
0.6149 Remote Similarity NPD7095 Approved
0.6148 Remote Similarity NPD1317 Discontinued
0.6148 Remote Similarity NPD6371 Approved
0.6143 Remote Similarity NPD2347 Approved
0.6142 Remote Similarity NPD5695 Phase 3
0.6139 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6135 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6133 Remote Similarity NPD4140 Approved
0.6129 Remote Similarity NPD6904 Approved
0.6129 Remote Similarity NPD6673 Approved
0.6129 Remote Similarity NPD800 Approved
0.6129 Remote Similarity NPD6080 Approved
0.6127 Remote Similarity NPD17 Approved
0.6124 Remote Similarity NPD5696 Approved
0.6118 Remote Similarity NPD2569 Approved
0.6118 Remote Similarity NPD2567 Approved
0.6107 Remote Similarity NPD6798 Discontinued
0.6104 Remote Similarity NPD2355 Clinical (unspecified phase)
0.6104 Remote Similarity NPD2353 Approved
0.6099 Remote Similarity NPD9545 Approved
0.6098 Remote Similarity NPD4793 Discontinued
0.6096 Remote Similarity NPD2797 Approved
0.609 Remote Similarity NPD4109 Clinical (unspecified phase)
0.609 Remote Similarity NPD6398 Clinical (unspecified phase)
0.609 Remote Similarity NPD6008 Approved
0.609 Remote Similarity NPD4110 Phase 3

Structure

External Identifiers

PubChem CID   56666458
ChEMBL   CHEMBL1801700
ZINC  

Physicochemical Properties

Molecular Weight:  544.32
ALogP:  3.2422
MLogP:  4.76
XLogP:  9.757
# Rotatable Bonds:  15
Polar Surface Area:  61.83
# H-Bond Aceptor:  5
# H-Bond Donor:  0
# Rings:  4
# Heavy Atoms:  40

Download Data

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