Natural Product: NPC477364

Natural Product ID:  NPC477364
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C27H34O4
Standard InCHIKey:  JQVANXRIXMMSKB-QBIOUWPCSA-N
Standard InCHI:  InChI=1S/C27H34O4/c1-16-11-12-20-21(26(20,4)5)14-17(2)24(29)27(15-18(3)23(28)22(27)13-16)31-25(30)19-9-7-6-8-10-19/h6-10,13-14,18,20-23,28H,11-12,15H2,1-5H3/b16-13+,17-14+/t18-,20-,21-,22-,23-,27+/m0/s1
Canonical SMILES:  C/C/1=C[C@H]2[C@@H](O)[C@H](C[C@]2(OC(=O)c2ccccc2)C(=O)/C(=C/[C@H]2[C@H](CC1)C2(C)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
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 = 42 % 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 NPC477364 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
0.9921 High Similarity NPC477368
0.9843 High Similarity NPC232888
0.9843 High Similarity NPC477367
0.9609 High Similarity NPC477359
0.9603 High Similarity NPC272946
0.9603 High Similarity NPC42234
0.9453 High Similarity NPC477360
0.944 High Similarity NPC477363
0.9291 High Similarity NPC477370
0.9286 High Similarity NPC477366
0.928 High Similarity NPC477362
0.9237 High Similarity NPC270364
0.9219 High Similarity NPC37968
0.9213 High Similarity NPC477365
0.9167 High Similarity NPC477358
0.9091 High Similarity NPC472247
0.9062 High Similarity NPC477357
0.9037 High Similarity NPC473497
0.903 High Similarity NPC276652
0.8976 High Similarity NPC8990
0.8947 High Similarity NPC265459
0.8947 High Similarity NPC290833
0.8947 High Similarity NPC475262
0.8929 High Similarity NPC477099
0.8929 High Similarity NPC477101
0.8929 High Similarity NPC477097
0.8906 High Similarity NPC477369
0.8905 High Similarity NPC153214
0.8905 High Similarity NPC45307
0.8897 High Similarity NPC473654
0.8897 High Similarity NPC474303
0.8897 High Similarity NPC475413
0.8881 High Similarity NPC194769
0.8881 High Similarity NPC285221
0.8872 High Similarity NPC472250
0.8815 High Similarity NPC86772
0.8794 High Similarity NPC125033
0.8794 High Similarity NPC25484
0.8794 High Similarity NPC232583
0.8786 High Similarity NPC205389
0.8768 High Similarity NPC477096
0.8768 High Similarity NPC477094
0.875 High Similarity NPC272523
0.875 High Similarity NPC325805
0.8741 High Similarity NPC477098
0.8741 High Similarity NPC477100
0.8722 High Similarity NPC233692
0.8722 High Similarity NPC239358
0.8714 High Similarity NPC170668
0.8686 High Similarity NPC251294
0.8686 High Similarity NPC475660
0.8657 High Similarity NPC472248
0.8633 High Similarity NPC82467
0.8593 High Similarity NPC28836
0.8593 High Similarity NPC311492
0.8582 High Similarity NPC477095
0.8582 High Similarity NPC233860
0.8571 High Similarity NPC475671
0.8571 High Similarity NPC475452
0.8529 High Similarity NPC200154
0.8529 High Similarity NPC79699
0.8489 Intermediate Similarity NPC242355
0.8485 Intermediate Similarity NPC472706
0.8467 Intermediate Similarity NPC217673
0.8467 Intermediate Similarity NPC52523
0.8467 Intermediate Similarity NPC202729
0.8421 Intermediate Similarity NPC472707
0.8406 Intermediate Similarity NPC27721
0.8345 Intermediate Similarity NPC473301
0.8298 Intermediate Similarity NPC183540
0.8296 Intermediate Similarity NPC122504
0.8296 Intermediate Similarity NPC3450
0.8296 Intermediate Similarity NPC475508
0.8295 Intermediate Similarity NPC472708
0.8258 Intermediate Similarity NPC472704
0.8227 Intermediate Similarity NPC187566
0.8188 Intermediate Similarity NPC329913
0.8188 Intermediate Similarity NPC153617
0.8188 Intermediate Similarity NPC126516
0.8182 Intermediate Similarity NPC472703
0.8134 Intermediate Similarity NPC476599
0.8125 Intermediate Similarity NPC134131
0.8125 Intermediate Similarity NPC25043
0.8125 Intermediate Similarity NPC471162
0.8121 Intermediate Similarity NPC70344
0.8092 Intermediate Similarity NPC473243
0.8085 Intermediate Similarity NPC170718
0.8058 Intermediate Similarity NPC134937
0.8058 Intermediate Similarity NPC324898
0.8058 Intermediate Similarity NPC298547
0.8058 Intermediate Similarity NPC203486
0.8054 Intermediate Similarity NPC469456
0.8042 Intermediate Similarity NPC51181
0.8041 Intermediate Similarity NPC469648
0.8041 Intermediate Similarity NPC138641
0.8041 Intermediate Similarity NPC283875
0.8041 Intermediate Similarity NPC469647
0.8041 Intermediate Similarity NPC22571
0.8029 Intermediate Similarity NPC82712
0.8 Intermediate Similarity NPC469636
0.8 Intermediate Similarity NPC279637
0.8 Intermediate Similarity NPC149401
0.7986 Intermediate Similarity NPC95449
0.7974 Intermediate Similarity NPC55744
0.7973 Intermediate Similarity NPC472398
0.7971 Intermediate Similarity NPC72915
0.7941 Intermediate Similarity NPC169913
0.7919 Intermediate Similarity NPC145649
0.7919 Intermediate Similarity NPC233581
0.7917 Intermediate Similarity NPC182869
0.7887 Intermediate Similarity NPC327511
0.7887 Intermediate Similarity NPC205305
0.7881 Intermediate Similarity NPC11410
0.7877 Intermediate Similarity NPC478264
0.7868 Intermediate Similarity NPC275576
0.7862 Intermediate Similarity NPC191387
0.7862 Intermediate Similarity NPC131966
0.7852 Intermediate Similarity NPC471466
0.7852 Intermediate Similarity NPC471103
0.7852 Intermediate Similarity NPC161955
0.7842 Intermediate Similarity NPC470278
0.7832 Intermediate Similarity NPC9905
0.7832 Intermediate Similarity NPC121268
0.7832 Intermediate Similarity NPC53361
0.7829 Intermediate Similarity NPC153053
0.7829 Intermediate Similarity NPC307651
0.7823 Intermediate Similarity NPC478263
0.7812 Intermediate Similarity NPC270699
0.7812 Intermediate Similarity NPC82899
0.7801 Intermediate Similarity NPC48929
0.7794 Intermediate Similarity NPC295664
0.7794 Intermediate Similarity NPC246166
0.7793 Intermediate Similarity NPC475135
0.7778 Intermediate Similarity NPC162613
0.7778 Intermediate Similarity NPC87934
0.7771 Intermediate Similarity NPC161151
0.777 Intermediate Similarity NPC132652
0.777 Intermediate Similarity NPC471832
0.7761 Intermediate Similarity NPC50872
0.7755 Intermediate Similarity NPC127857
0.7754 Intermediate Similarity NPC51448
0.7754 Intermediate Similarity NPC115797
0.7752 Intermediate Similarity NPC161611
0.7746 Intermediate Similarity NPC477896
0.7746 Intermediate Similarity NPC477893
0.7744 Intermediate Similarity NPC204784
0.774 Intermediate Similarity NPC477894
0.7734 Intermediate Similarity NPC1082
0.7734 Intermediate Similarity NPC305912
0.7733 Intermediate Similarity NPC51602
0.7718 Intermediate Similarity NPC250046
0.7718 Intermediate Similarity NPC81698
0.7718 Intermediate Similarity NPC60509
0.7697 Intermediate Similarity NPC469730
0.7697 Intermediate Similarity NPC251139
0.7697 Intermediate Similarity NPC21410
0.7697 Intermediate Similarity NPC473670
0.7697 Intermediate Similarity NPC132599
0.7697 Intermediate Similarity NPC473632
0.7692 Intermediate Similarity NPC474363
0.7674 Intermediate Similarity NPC321852
0.7671 Intermediate Similarity NPC192658
0.7667 Intermediate Similarity NPC198455
0.7667 Intermediate Similarity NPC7095
0.7667 Intermediate Similarity NPC165260
0.7667 Intermediate Similarity NPC161239
0.7662 Intermediate Similarity NPC159692
0.766 Intermediate Similarity NPC125153
0.7656 Intermediate Similarity NPC251854
0.7656 Intermediate Similarity NPC93084
0.7656 Intermediate Similarity NPC196246
0.7656 Intermediate Similarity NPC214067
0.7647 Intermediate Similarity NPC106895
0.7635 Intermediate Similarity NPC471100
0.7635 Intermediate Similarity NPC471107
0.7632 Intermediate Similarity NPC219419
0.7616 Intermediate Similarity NPC101043
0.7616 Intermediate Similarity NPC306799
0.7606 Intermediate Similarity NPC472656
0.7603 Intermediate Similarity NPC266374
0.7603 Intermediate Similarity NPC471862
0.76 Intermediate Similarity NPC473215
0.76 Intermediate Similarity NPC301943
0.76 Intermediate Similarity NPC474365
0.7597 Intermediate Similarity NPC260818
0.7597 Intermediate Similarity NPC476003
0.7595 Intermediate Similarity NPC477491
0.7584 Intermediate Similarity NPC312393
0.7584 Intermediate Similarity NPC475552
0.7584 Intermediate Similarity NPC477737
0.7582 Intermediate Similarity NPC259144
0.7582 Intermediate Similarity NPC114357
0.7582 Intermediate Similarity NPC282239
0.7582 Intermediate Similarity NPC473611
0.7582 Intermediate Similarity NPC155329
0.7578 Intermediate Similarity NPC10251
0.7578 Intermediate Similarity NPC17417
0.7578 Intermediate Similarity NPC83628
0.7578 Intermediate Similarity NPC265407
0.7568 Intermediate Similarity NPC34943

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC477364 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
0.8643 High Similarity NPD7236 Approved
0.8345 Intermediate Similarity NPD7239 Suspended
0.7843 Intermediate Similarity NPD7058 Phase 2
0.7843 Intermediate Similarity NPD7057 Phase 3
0.781 Intermediate Similarity NPD6007 Clinical (unspecified phase)
0.7734 Intermediate Similarity NPD2181 Clinical (unspecified phase)
0.7578 Intermediate Similarity NPD2182 Approved
0.7516 Intermediate Similarity NPD7799 Discontinued
0.75 Intermediate Similarity NPD690 Clinical (unspecified phase)
0.746 Intermediate Similarity NPD5738 Clinical (unspecified phase)
0.7429 Intermediate Similarity NPD5740 Clinical (unspecified phase)
0.7429 Intermediate Similarity NPD6085 Phase 2
0.7422 Intermediate Similarity NPD6685 Approved
0.7413 Intermediate Similarity NPD7961 Discontinued
0.7385 Intermediate Similarity NPD2067 Discontinued
0.7361 Intermediate Similarity NPD7966 Clinical (unspecified phase)
0.7323 Intermediate Similarity NPD6647 Phase 2
0.7266 Intermediate Similarity NPD164 Approved
0.7246 Intermediate Similarity NPD7457 Clinical (unspecified phase)
0.7239 Intermediate Similarity NPD2629 Approved
0.7188 Intermediate Similarity NPD5765 Approved
0.7176 Intermediate Similarity NPD6831 Clinical (unspecified phase)
0.7153 Intermediate Similarity NPD5952 Clinical (unspecified phase)
0.7132 Intermediate Similarity NPD1237 Approved
0.7113 Intermediate Similarity NPD6362 Approved
0.7059 Intermediate Similarity NPD4198 Discontinued
0.705 Intermediate Similarity NPD3412 Clinical (unspecified phase)
0.7047 Intermediate Similarity NPD7305 Phase 1
0.7032 Intermediate Similarity NPD6273 Approved
0.7015 Intermediate Similarity NPD6912 Phase 3
0.7015 Intermediate Similarity NPD1609 Clinical (unspecified phase)
0.6963 Remote Similarity NPD7094 Approved
0.6963 Remote Similarity NPD6858 Approved
0.6954 Remote Similarity NPD6002 Phase 3
0.6954 Remote Similarity NPD7702 Clinical (unspecified phase)
0.6954 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6954 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6954 Remote Similarity NPD6005 Phase 3
0.6954 Remote Similarity NPD6004 Phase 3
0.6953 Remote Similarity NPD1238 Approved
0.695 Remote Similarity NPD6287 Discontinued
0.6944 Remote Similarity NPD5647 Approved
0.6928 Remote Similarity NPD4628 Phase 3
0.6923 Remote Similarity NPD6765 Approved
0.6923 Remote Similarity NPD6764 Approved
0.6918 Remote Similarity NPD7008 Discontinued
0.6913 Remote Similarity NPD6653 Approved
0.6906 Remote Similarity NPD7741 Discontinued
0.6906 Remote Similarity NPD9545 Approved
0.6875 Remote Similarity NPD9495 Approved
0.6846 Remote Similarity NPD6355 Discontinued
0.6832 Remote Similarity NPD5760 Phase 2
0.6832 Remote Similarity NPD5761 Phase 2
0.6824 Remote Similarity NPD7685 Pre-registration
0.6824 Remote Similarity NPD8368 Discontinued
0.6822 Remote Similarity NPD2066 Phase 3
0.6821 Remote Similarity NPD8424 Clinical (unspecified phase)
0.6802 Remote Similarity NPD8407 Phase 2
0.6794 Remote Similarity NPD1931 Clinical (unspecified phase)
0.6794 Remote Similarity NPD1930 Approved
0.6794 Remote Similarity NPD1929 Approved
0.6776 Remote Similarity NPD7137 Phase 2
0.6772 Remote Similarity NPD1693 Approved
0.6763 Remote Similarity NPD6784 Approved
0.6763 Remote Similarity NPD6785 Approved
0.675 Remote Similarity NPD6599 Discontinued
0.6739 Remote Similarity NPD5951 Approved
0.6732 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6713 Remote Similarity NPD4807 Approved
0.6713 Remote Similarity NPD4806 Approved
0.6711 Remote Similarity NPD6663 Approved
0.6693 Remote Similarity NPD5122 Clinical (unspecified phase)
0.6691 Remote Similarity NPD4141 Clinical (unspecified phase)
0.669 Remote Similarity NPD5306 Approved
0.669 Remote Similarity NPD5305 Approved
0.6667 Remote Similarity NPD3661 Approved
0.6667 Remote Similarity NPD2650 Approved
0.6667 Remote Similarity NPD3972 Approved
0.6667 Remote Similarity NPD2652 Approved
0.6667 Remote Similarity NPD5736 Approved
0.6667 Remote Similarity NPD3662 Phase 3
0.6667 Remote Similarity NPD7009 Phase 2
0.6667 Remote Similarity NPD6010 Discontinued
0.6667 Remote Similarity NPD3887 Approved
0.6667 Remote Similarity NPD3663 Approved
0.6667 Remote Similarity NPD3664 Approved
0.6644 Remote Similarity NPD3764 Approved
0.6643 Remote Similarity NPD9493 Approved
0.6642 Remote Similarity NPD969 Suspended
0.6629 Remote Similarity NPD8434 Phase 2
0.6626 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6623 Remote Similarity NPD5763 Approved
0.6623 Remote Similarity NPD5762 Approved
0.6617 Remote Similarity NPD5909 Discontinued
0.6614 Remote Similarity NPD1088 Approved
0.6601 Remote Similarity NPD2799 Discontinued
0.6596 Remote Similarity NPD7610 Discontinued
0.6587 Remote Similarity NPD9258 Approved
0.6587 Remote Similarity NPD9256 Approved
0.6584 Remote Similarity NPD7458 Discontinued
0.6582 Remote Similarity NPD6799 Approved
0.6575 Remote Similarity NPD5667 Approved
0.6575 Remote Similarity NPD1876 Approved
0.6567 Remote Similarity NPD5048 Discontinued
0.6561 Remote Similarity NPD6190 Approved
0.6561 Remote Similarity NPD2354 Approved
0.6554 Remote Similarity NPD8435 Approved
0.6541 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6538 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6536 Remote Similarity NPD2569 Approved
0.6536 Remote Similarity NPD2567 Approved
0.6533 Remote Similarity NPD3268 Approved
0.6533 Remote Similarity NPD2313 Discontinued
0.6528 Remote Similarity NPD4136 Approved
0.6528 Remote Similarity NPD4135 Approved
0.6528 Remote Similarity NPD4106 Approved
0.6513 Remote Similarity NPD230 Phase 1
0.651 Remote Similarity NPD6832 Phase 2
0.6506 Remote Similarity NPD7075 Discontinued
0.6503 Remote Similarity NPD4196 Clinical (unspecified phase)
0.6494 Remote Similarity NPD7033 Discontinued
0.649 Remote Similarity NPD7713 Phase 3
0.649 Remote Similarity NPD6233 Phase 2
0.6471 Remote Similarity NPD3528 Clinical (unspecified phase)
0.6471 Remote Similarity NPD6899 Approved
0.6471 Remote Similarity NPD6881 Approved
0.6466 Remote Similarity NPD1932 Approved
0.6463 Remote Similarity NPD6801 Discontinued
0.6461 Remote Similarity NPD8360 Approved
0.6461 Remote Similarity NPD8361 Approved
0.6458 Remote Similarity NPD7163 Clinical (unspecified phase)
0.6457 Remote Similarity NPD1090 Approved
0.6457 Remote Similarity NPD1089 Approved
0.6457 Remote Similarity NPD1086 Approved
0.6453 Remote Similarity NPD8470 Clinical (unspecified phase)
0.6449 Remote Similarity NPD6649 Approved
0.6449 Remote Similarity NPD6650 Approved
0.6447 Remote Similarity NPD4140 Approved
0.6443 Remote Similarity NPD5204 Approved
0.6438 Remote Similarity NPD9717 Approved
0.6434 Remote Similarity NPD1202 Approved
0.6424 Remote Similarity NPD6798 Discontinued
0.6423 Remote Similarity NPD2329 Discontinued
0.6419 Remote Similarity NPD2797 Approved
0.641 Remote Similarity NPD2353 Approved
0.641 Remote Similarity NPD2346 Discontinued
0.641 Remote Similarity NPD2355 Clinical (unspecified phase)
0.64 Remote Similarity NPD9259 Approved
0.64 Remote Similarity NPD9257 Approved
0.64 Remote Similarity NPD7055 Discontinued
0.6397 Remote Similarity NPD5697 Approved
0.6392 Remote Similarity NPD8166 Discontinued
0.6392 Remote Similarity NPD7488 Clinical (unspecified phase)
0.6392 Remote Similarity NPD2575 Approved
0.6391 Remote Similarity NPD8127 Discontinued
0.6389 Remote Similarity NPD4102 Approved
0.6389 Remote Similarity NPD4105 Approved
0.6389 Remote Similarity NPD5585 Approved
0.6384 Remote Similarity NPD8055 Clinical (unspecified phase)
0.6383 Remote Similarity NPD4766 Approved
0.6382 Remote Similarity NPD7715 Approved
0.6382 Remote Similarity NPD7714 Approved
0.638 Remote Similarity NPD6591 Clinical (unspecified phase)
0.6378 Remote Similarity NPD800 Approved
0.6377 Remote Similarity NPD1317 Discontinued
0.6377 Remote Similarity NPD7102 Approved
0.6377 Remote Similarity NPD7290 Approved
0.6377 Remote Similarity NPD6883 Approved
0.6376 Remote Similarity NPD2798 Approved
0.6369 Remote Similarity NPD5537 Clinical (unspecified phase)
0.6358 Remote Similarity NPD6039 Approved
0.6358 Remote Similarity NPD7095 Approved
0.6358 Remote Similarity NPD5403 Approved
0.6351 Remote Similarity NPD2198 Approved
0.6351 Remote Similarity NPD2199 Approved
0.635 Remote Similarity NPD6406 Approved
0.6348 Remote Similarity NPD8150 Discontinued
0.6346 Remote Similarity NPD2935 Discontinued
0.6339 Remote Similarity NPD8485 Approved
0.6336 Remote Similarity NPD1989 Approved
0.6335 Remote Similarity NPD2534 Approved
0.6335 Remote Similarity NPD5401 Approved
0.6335 Remote Similarity NPD2532 Approved
0.6335 Remote Similarity NPD8389 Clinical (unspecified phase)
0.6335 Remote Similarity NPD2533 Approved
0.6331 Remote Similarity NPD8130 Phase 1
0.6331 Remote Similarity NPD6847 Approved
0.6331 Remote Similarity NPD6617 Approved
0.6331 Remote Similarity NPD6869 Approved
0.6328 Remote Similarity NPD3673 Approved
0.6328 Remote Similarity NPD5785 Approved
0.6328 Remote Similarity NPD3672 Approved
0.6327 Remote Similarity NPD6637 Approved
0.6327 Remote Similarity NPD1608 Approved
0.6325 Remote Similarity NPD7819 Suspended
0.6324 Remote Similarity NPD6675 Approved
0.6324 Remote Similarity NPD7128 Approved
0.6324 Remote Similarity NPD6402 Approved
0.6324 Remote Similarity NPD5739 Approved
0.6316 Remote Similarity NPD6859 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   56683353
ChEMBL   CHEMBL1801695
ZINC  

Physicochemical Properties

Molecular Weight:  422.25
ALogP:  1.6346
MLogP:  3.99
XLogP:  6.794
# Rotatable Bonds:  9
Polar Surface Area:  63.6
# H-Bond Aceptor:  4
# H-Bond Donor:  1
# Rings:  4
# Heavy Atoms:  31

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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