Natural Product: NPC477362

Natural Product ID:  NPC477362
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C29H36O4
Standard InCHIKey:  NQXSTPNIDYJOBI-GHZVEZLISA-N
Standard InCHI:  InChI=1S/C29H36O4/c1-18-11-13-22-23(28(22,4)5)16-19(2)27(31)29(32)17-20(3)26(24(29)15-18)33-25(30)14-12-21-9-7-6-8-10-21/h6-10,12,14-16,20,22-24,26,32H,11,13,17H2,1-5H3/b14-12+,18-15+,19-16+/t20-,22-,23-,24-,26-,29+/m0/s1
Canonical SMILES:  O=C(O[C@H]1[C@@H](C)C[C@]2([C@H]1/C=C(C)/CC[C@H]1[C@H](/C=C(/C2=O)C)C1(C)C)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 NPC477362 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
0.9831 High Similarity NPC477363
0.9831 High Similarity NPC477366
0.9748 High Similarity NPC477365
0.9748 High Similarity NPC477357
0.9667 High Similarity NPC477370
0.9587 High Similarity NPC37968
0.9496 High Similarity NPC8990
0.9417 High Similarity NPC477369
0.928 High Similarity NPC477364
0.9206 High Similarity NPC477368
0.9206 High Similarity NPC477359
0.9194 High Similarity NPC272946
0.9134 High Similarity NPC477367
0.9134 High Similarity NPC232888
0.904 High Similarity NPC475671
0.904 High Similarity NPC42234
0.904 High Similarity NPC475452
0.8898 High Similarity NPC477360
0.8692 High Similarity NPC270364
0.8626 High Similarity NPC477358
0.855 High Similarity NPC472247
0.8507 High Similarity NPC473497
0.8496 Intermediate Similarity NPC276652
0.845 Intermediate Similarity NPC3450
0.845 Intermediate Similarity NPC122504
0.8409 Intermediate Similarity NPC290833
0.8409 Intermediate Similarity NPC265459
0.8409 Intermediate Similarity NPC475262
0.8394 Intermediate Similarity NPC471162
0.8382 Intermediate Similarity NPC153214
0.8382 Intermediate Similarity NPC45307
0.837 Intermediate Similarity NPC473654
0.837 Intermediate Similarity NPC475413
0.837 Intermediate Similarity NPC474303
0.8346 Intermediate Similarity NPC194769
0.8346 Intermediate Similarity NPC285221
0.8333 Intermediate Similarity NPC472250
0.8286 Intermediate Similarity NPC477099
0.8286 Intermediate Similarity NPC125033
0.8286 Intermediate Similarity NPC477097
0.8286 Intermediate Similarity NPC477101
0.8284 Intermediate Similarity NPC86772
0.8248 Intermediate Similarity NPC477096
0.8248 Intermediate Similarity NPC477094
0.8222 Intermediate Similarity NPC272523
0.8222 Intermediate Similarity NPC325805
0.8201 Intermediate Similarity NPC170668
0.8182 Intermediate Similarity NPC233860
0.8182 Intermediate Similarity NPC239358
0.8182 Intermediate Similarity NPC233692
0.8162 Intermediate Similarity NPC251294
0.8162 Intermediate Similarity NPC475660
0.8156 Intermediate Similarity NPC232583
0.8156 Intermediate Similarity NPC25484
0.8143 Intermediate Similarity NPC205389
0.812 Intermediate Similarity NPC472248
0.8116 Intermediate Similarity NPC82467
0.8112 Intermediate Similarity NPC477098
0.8112 Intermediate Similarity NPC477100
0.8071 Intermediate Similarity NPC477095
0.806 Intermediate Similarity NPC311492
0.806 Intermediate Similarity NPC28836
0.8 Intermediate Similarity NPC200154
0.8 Intermediate Similarity NPC79699
0.7971 Intermediate Similarity NPC242355
0.7941 Intermediate Similarity NPC52523
0.7941 Intermediate Similarity NPC202729
0.7941 Intermediate Similarity NPC217673
0.7939 Intermediate Similarity NPC472706
0.7914 Intermediate Similarity NPC183540
0.7899 Intermediate Similarity NPC473440
0.7895 Intermediate Similarity NPC475508
0.7883 Intermediate Similarity NPC27721
0.7879 Intermediate Similarity NPC472707
0.7874 Intermediate Similarity NPC472708
0.7846 Intermediate Similarity NPC472704
0.7842 Intermediate Similarity NPC187566
0.7826 Intermediate Similarity NPC473301
0.7812 Intermediate Similarity NPC475827
0.7812 Intermediate Similarity NPC474223
0.7794 Intermediate Similarity NPC329913
0.7794 Intermediate Similarity NPC4242
0.7794 Intermediate Similarity NPC153617
0.7794 Intermediate Similarity NPC471911
0.7786 Intermediate Similarity NPC63737
0.7769 Intermediate Similarity NPC472703
0.7769 Intermediate Similarity NPC20485
0.775 Intermediate Similarity NPC321670
0.7734 Intermediate Similarity NPC204784
0.771 Intermediate Similarity NPC12881
0.771 Intermediate Similarity NPC140118
0.7698 Intermediate Similarity NPC9274
0.7698 Intermediate Similarity NPC170718
0.7664 Intermediate Similarity NPC324898
0.7664 Intermediate Similarity NPC298547
0.7664 Intermediate Similarity NPC134937
0.7664 Intermediate Similarity NPC470143
0.7664 Intermediate Similarity NPC126516
0.7664 Intermediate Similarity NPC322503
0.766 Intermediate Similarity NPC51181
0.766 Intermediate Similarity NPC140021
0.7635 Intermediate Similarity NPC70344
0.7634 Intermediate Similarity NPC474254
0.7634 Intermediate Similarity NPC474159
0.7622 Intermediate Similarity NPC25043
0.7622 Intermediate Similarity NPC134131
0.7609 Intermediate Similarity NPC149401
0.7609 Intermediate Similarity NPC279637
0.7594 Intermediate Similarity NPC476599
0.7591 Intermediate Similarity NPC15850
0.7589 Intermediate Similarity NPC471862
0.7568 Intermediate Similarity NPC469456
0.7561 Intermediate Similarity NPC469636
0.7552 Intermediate Similarity NPC80895
0.7552 Intermediate Similarity NPC471912
0.7551 Intermediate Similarity NPC138641
0.7551 Intermediate Similarity NPC283875
0.7551 Intermediate Similarity NPC469648
0.7551 Intermediate Similarity NPC469647
0.7551 Intermediate Similarity NPC22571
0.7538 Intermediate Similarity NPC473243
0.7538 Intermediate Similarity NPC474222
0.7538 Intermediate Similarity NPC475804
0.7536 Intermediate Similarity NPC203486
0.75 Intermediate Similarity NPC475536
0.75 Intermediate Similarity NPC205305
0.75 Intermediate Similarity NPC301946
0.75 Intermediate Similarity NPC55744
0.75 Intermediate Similarity NPC277053
0.75 Intermediate Similarity NPC327511
0.75 Intermediate Similarity NPC49272
0.75 Intermediate Similarity NPC165234
0.75 Intermediate Similarity NPC82712
0.75 Intermediate Similarity NPC118405
0.75 Intermediate Similarity NPC184109
0.7483 Intermediate Similarity NPC191387
0.7483 Intermediate Similarity NPC472398
0.7483 Intermediate Similarity NPC131966
0.7483 Intermediate Similarity NPC95449
0.7481 Intermediate Similarity NPC115797
0.7481 Intermediate Similarity NPC51448
0.7458 Intermediate Similarity NPC87090
0.7451 Intermediate Similarity NPC475300
0.7451 Intermediate Similarity NPC473797
0.7451 Intermediate Similarity NPC475437
0.7451 Intermediate Similarity NPC473641
0.7451 Intermediate Similarity NPC475505
0.7451 Intermediate Similarity NPC475464
0.7447 Intermediate Similarity NPC53361
0.7447 Intermediate Similarity NPC121268
0.7445 Intermediate Similarity NPC470278
0.7445 Intermediate Similarity NPC72915
0.7444 Intermediate Similarity NPC471466
0.7442 Intermediate Similarity NPC152812
0.7432 Intermediate Similarity NPC145649
0.7432 Intermediate Similarity NPC233581
0.7426 Intermediate Similarity NPC225103
0.7419 Intermediate Similarity NPC40178
0.7413 Intermediate Similarity NPC475135
0.7413 Intermediate Similarity NPC471856
0.7407 Intermediate Similarity NPC473423
0.7407 Intermediate Similarity NPC169913
0.7402 Intermediate Similarity NPC153053
0.7402 Intermediate Similarity NPC307651
0.74 Intermediate Similarity NPC11410
0.7398 Intermediate Similarity NPC51174
0.7395 Intermediate Similarity NPC477355
0.7391 Intermediate Similarity NPC80599
0.7391 Intermediate Similarity NPC209851
0.7388 Intermediate Similarity NPC295664
0.7388 Intermediate Similarity NPC284022
0.7388 Intermediate Similarity NPC246166
0.7381 Intermediate Similarity NPC82899
0.7381 Intermediate Similarity NPC270699
0.7379 Intermediate Similarity NPC478264
0.7379 Intermediate Similarity NPC127857
0.7372 Intermediate Similarity NPC472388
0.7372 Intermediate Similarity NPC475138
0.7372 Intermediate Similarity NPC473443
0.7365 Intermediate Similarity NPC161955
0.7361 Intermediate Similarity NPC284957
0.7353 Intermediate Similarity NPC231627
0.7348 Intermediate Similarity NPC50872
0.7344 Intermediate Similarity NPC469509
0.7339 Intermediate Similarity NPC47536
0.7338 Intermediate Similarity NPC323379
0.7338 Intermediate Similarity NPC327204
0.7333 Intermediate Similarity NPC275576
0.7333 Intermediate Similarity NPC471176
0.7333 Intermediate Similarity NPC470818
0.7329 Intermediate Similarity NPC478263
0.7328 Intermediate Similarity NPC202015
0.7324 Intermediate Similarity NPC9905
0.7319 Intermediate Similarity NPC17567
0.7319 Intermediate Similarity NPC472418
0.7315 Intermediate Similarity NPC117346
0.7315 Intermediate Similarity NPC240592
0.7313 Intermediate Similarity NPC328107
0.7308 Intermediate Similarity NPC161151
0.7308 Intermediate Similarity NPC94425

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC477362 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
0.8 Intermediate Similarity NPD7236 Approved
0.7881 Intermediate Similarity NPD5738 Clinical (unspecified phase)
0.7833 Intermediate Similarity NPD6685 Approved
0.7731 Intermediate Similarity NPD6647 Phase 2
0.7724 Intermediate Similarity NPD7239 Suspended
0.7642 Intermediate Similarity NPD2067 Discontinued
0.7591 Intermediate Similarity NPD7966 Clinical (unspecified phase)
0.7583 Intermediate Similarity NPD5765 Approved
0.746 Intermediate Similarity NPD7094 Approved
0.746 Intermediate Similarity NPD6858 Approved
0.7407 Intermediate Similarity NPD6007 Clinical (unspecified phase)
0.7391 Intermediate Similarity NPD7961 Discontinued
0.7381 Intermediate Similarity NPD6912 Phase 3
0.7348 Intermediate Similarity NPD7457 Clinical (unspecified phase)
0.7302 Intermediate Similarity NPD2181 Clinical (unspecified phase)
0.7279 Intermediate Similarity NPD5740 Clinical (unspecified phase)
0.7279 Intermediate Similarity NPD6085 Phase 2
0.7255 Intermediate Similarity NPD7058 Phase 2
0.7255 Intermediate Similarity NPD7057 Phase 3
0.7209 Intermediate Similarity NPD690 Clinical (unspecified phase)
0.7203 Intermediate Similarity NPD5122 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD2182 Approved
0.7097 Intermediate Similarity NPD5909 Discontinued
0.7077 Intermediate Similarity NPD2629 Approved
0.7049 Intermediate Similarity NPD2066 Phase 3
0.7014 Intermediate Similarity NPD7305 Phase 1
0.7 Intermediate Similarity NPD6010 Discontinued
0.7 Intermediate Similarity NPD1693 Approved
0.6957 Remote Similarity NPD6362 Approved
0.6957 Remote Similarity NPD7799 Discontinued
0.6905 Remote Similarity NPD5048 Discontinued
0.6894 Remote Similarity NPD4198 Discontinued
0.6875 Remote Similarity NPD6831 Clinical (unspecified phase)
0.687 Remote Similarity NPD2652 Approved
0.687 Remote Similarity NPD2650 Approved
0.6833 Remote Similarity NPD1088 Approved
0.6825 Remote Similarity NPD164 Approved
0.6809 Remote Similarity NPD7055 Discontinued
0.6807 Remote Similarity NPD3673 Approved
0.6807 Remote Similarity NPD3672 Approved
0.6803 Remote Similarity NPD6004 Phase 3
0.6803 Remote Similarity NPD6002 Phase 3
0.6803 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6803 Remote Similarity NPD6005 Phase 3
0.6803 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6786 Remote Similarity NPD5647 Approved
0.6783 Remote Similarity NPD6663 Approved
0.6761 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6759 Remote Similarity NPD6653 Approved
0.6746 Remote Similarity NPD1930 Approved
0.6746 Remote Similarity NPD1929 Approved
0.6746 Remote Similarity NPD1931 Clinical (unspecified phase)
0.6741 Remote Similarity NPD7009 Phase 2
0.6741 Remote Similarity NPD7741 Discontinued
0.6739 Remote Similarity NPD6637 Approved
0.6738 Remote Similarity NPD5736 Approved
0.6735 Remote Similarity NPD7137 Phase 2
0.6723 Remote Similarity NPD5347 Phase 2
0.6723 Remote Similarity NPD5346 Phase 2
0.6694 Remote Similarity NPD9495 Approved
0.6693 Remote Similarity NPD1237 Approved
0.669 Remote Similarity NPD6355 Discontinued
0.6667 Remote Similarity NPD6899 Approved
0.6667 Remote Similarity NPD4807 Approved
0.6667 Remote Similarity NPD4806 Approved
0.6667 Remote Similarity NPD1086 Approved
0.6667 Remote Similarity NPD7610 Discontinued
0.6667 Remote Similarity NPD5785 Approved
0.6667 Remote Similarity NPD1089 Approved
0.6667 Remote Similarity NPD6406 Approved
0.6667 Remote Similarity NPD1090 Approved
0.6667 Remote Similarity NPD6881 Approved
0.6642 Remote Similarity NPD5306 Approved
0.6642 Remote Similarity NPD3412 Clinical (unspecified phase)
0.6642 Remote Similarity NPD5305 Approved
0.6641 Remote Similarity NPD6649 Approved
0.6641 Remote Similarity NPD6650 Approved
0.6641 Remote Similarity NPD4141 Clinical (unspecified phase)
0.662 Remote Similarity NPD3661 Approved
0.662 Remote Similarity NPD3663 Approved
0.662 Remote Similarity NPD3664 Approved
0.662 Remote Similarity NPD3662 Phase 3
0.6591 Remote Similarity NPD969 Suspended
0.6591 Remote Similarity NPD1609 Clinical (unspecified phase)
0.6589 Remote Similarity NPD5697 Approved
0.6583 Remote Similarity NPD800 Approved
0.6577 Remote Similarity NPD7702 Clinical (unspecified phase)
0.6567 Remote Similarity NPD4766 Approved
0.6565 Remote Similarity NPD7290 Approved
0.6565 Remote Similarity NPD7102 Approved
0.6565 Remote Similarity NPD6883 Approved
0.6558 Remote Similarity NPD6273 Approved
0.6555 Remote Similarity NPD4793 Discontinued
0.6547 Remote Similarity NPD6287 Discontinued
0.6535 Remote Similarity NPD1932 Approved
0.6532 Remote Similarity NPD1989 Approved
0.6528 Remote Similarity NPD7008 Discontinued
0.6515 Remote Similarity NPD6847 Approved
0.6515 Remote Similarity NPD8130 Phase 1
0.6515 Remote Similarity NPD6869 Approved
0.6515 Remote Similarity NPD6617 Approved
0.6512 Remote Similarity NPD6675 Approved
0.6512 Remote Similarity NPD6402 Approved
0.6512 Remote Similarity NPD7128 Approved
0.6512 Remote Similarity NPD5739 Approved
0.6508 Remote Similarity NPD1238 Approved
0.6508 Remote Similarity NPD7798 Approved
0.6503 Remote Similarity NPD7084 Phase 3
0.6496 Remote Similarity NPD9545 Approved
0.6489 Remote Similarity NPD6372 Approved
0.6489 Remote Similarity NPD6014 Approved
0.6489 Remote Similarity NPD2329 Discontinued
0.6489 Remote Similarity NPD6373 Approved
0.6489 Remote Similarity NPD6013 Approved
0.6489 Remote Similarity NPD6012 Approved
0.6483 Remote Similarity NPD3268 Approved
0.6475 Remote Similarity NPD4106 Approved
0.6475 Remote Similarity NPD4135 Approved
0.6475 Remote Similarity NPD4136 Approved
0.6466 Remote Similarity NPD8297 Approved
0.6466 Remote Similarity NPD6882 Approved
0.6447 Remote Similarity NPD4628 Phase 3
0.6447 Remote Similarity NPD8166 Discontinued
0.6444 Remote Similarity NPD5951 Approved
0.6439 Remote Similarity NPD1317 Discontinued
0.6439 Remote Similarity NPD4234 Approved
0.6439 Remote Similarity NPD6371 Approved
0.6439 Remote Similarity NPD4233 Approved
0.6429 Remote Similarity NPD5926 Approved
0.6417 Remote Similarity NPD1282 Approved
0.6417 Remote Similarity NPD1087 Approved
0.6412 Remote Similarity NPD7320 Approved
0.6412 Remote Similarity NPD6011 Approved
0.641 Remote Similarity NPD6435 Approved
0.6405 Remote Similarity NPD6190 Approved
0.6391 Remote Similarity NPD6765 Approved
0.6391 Remote Similarity NPD7685 Pre-registration
0.6391 Remote Similarity NPD6764 Approved
0.6389 Remote Similarity NPD5204 Approved
0.6387 Remote Similarity NPD5734 Clinical (unspecified phase)
0.6375 Remote Similarity NPD5761 Phase 2
0.6375 Remote Similarity NPD5760 Phase 2
0.6364 Remote Similarity NPD2797 Approved
0.6358 Remote Similarity NPD5762 Approved
0.6358 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6358 Remote Similarity NPD5763 Approved
0.6356 Remote Similarity NPD9491 Approved
0.6349 Remote Similarity NPD6084 Phase 2
0.6349 Remote Similarity NPD6083 Phase 2
0.6336 Remote Similarity NPD5701 Approved
0.6333 Remote Similarity NPD7033 Discontinued
0.6331 Remote Similarity NPD4102 Approved
0.6331 Remote Similarity NPD4105 Approved
0.6331 Remote Similarity NPD5585 Approved
0.6327 Remote Similarity NPD6233 Phase 2
0.6325 Remote Similarity NPD226 Approved
0.632 Remote Similarity NPD1698 Clinical (unspecified phase)
0.632 Remote Similarity NPD6048 Clinical (unspecified phase)
0.632 Remote Similarity NPD6049 Phase 2
0.632 Remote Similarity NPD5695 Phase 3
0.6312 Remote Similarity NPD4216 Approved
0.6312 Remote Similarity NPD2609 Approved
0.6312 Remote Similarity NPD2612 Approved
0.6312 Remote Similarity NPD2608 Approved
0.6312 Remote Similarity NPD4215 Approved
0.6312 Remote Similarity NPD4218 Approved
0.6312 Remote Similarity NPD4217 Approved
0.6312 Remote Similarity NPD2611 Approved
0.6312 Remote Similarity NPD2610 Approved
0.6312 Remote Similarity NPD3131 Approved
0.6312 Remote Similarity NPD3132 Approved
0.6306 Remote Similarity NPD7606 Phase 3
0.6304 Remote Similarity NPD6065 Approved
0.6301 Remote Similarity NPD8424 Clinical (unspecified phase)
0.6299 Remote Similarity NPD5696 Approved
0.6294 Remote Similarity NPD5667 Approved
0.6294 Remote Similarity NPD8368 Discontinued
0.6289 Remote Similarity NPD6599 Discontinued
0.6284 Remote Similarity NPD4140 Approved
0.6282 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6279 Remote Similarity NPD5211 Phase 2
0.6279 Remote Similarity NPD8407 Phase 2
0.6277 Remote Similarity NPD3317 Approved
0.6277 Remote Similarity NPD7115 Discovery
0.6268 Remote Similarity NPD3972 Approved
0.626 Remote Similarity NPD9258 Approved
0.626 Remote Similarity NPD9256 Approved
0.6259 Remote Similarity NPD6798 Discontinued
0.6259 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6259 Remote Similarity NPD4479 Discontinued
0.6259 Remote Similarity NPD3764 Approved
0.6257 Remote Similarity NPD7962 Phase 2
0.625 Remote Similarity NPD3267 Approved
0.625 Remote Similarity NPD5286 Approved
0.625 Remote Similarity NPD4696 Approved
0.625 Remote Similarity NPD5363 Approved
0.625 Remote Similarity NPD5285 Approved
0.625 Remote Similarity NPD3266 Approved
0.6243 Remote Similarity NPD6784 Approved
0.6243 Remote Similarity NPD6785 Approved

Structure

External Identifiers

PubChem CID   56680009
ChEMBL   CHEMBL1801693
ZINC  

Physicochemical Properties

Molecular Weight:  448.26
ALogP:  1.9957
MLogP:  4.21
XLogP:  8.461
# Rotatable Bonds:  10
Polar Surface Area:  63.6
# H-Bond Aceptor:  4
# H-Bond Donor:  1
# Rings:  4
# Heavy Atoms:  33

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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