Natural Product: NPC477357

Natural Product ID:  NPC477357
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C29H36O5
Standard InCHIKey:  QWCWFWSASCMKEX-FYQBYZSOSA-N
Standard InCHI:  InChI=1S/C29H36O5/c1-17-15-21-20(27(21,3)4)13-14-28(5)26(34-28)23-24(18(2)16-29(23,32)25(17)31)33-22(30)12-11-19-9-7-6-8-10-19/h6-12,15,18,20-21,23-24,26,32H,13-14,16H2,1-5H3/b12-11+,17-15+/t18-,20-,21-,23+,24-,26+,28+,29+/m0/s1
Canonical SMILES:  O=C(O[C@H]1[C@@H](C)C[C@]2([C@H]1[C@H]1O[C@]1(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 NPC477357 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
0.9835 High Similarity NPC37968
0.975 High Similarity NPC477366
0.9748 High Similarity NPC477362
0.9669 High Similarity NPC477365
0.959 High Similarity NPC477370
0.9587 High Similarity NPC477363
0.9444 High Similarity NPC477359
0.9421 High Similarity NPC8990
0.9344 High Similarity NPC477369
0.928 High Similarity NPC475452
0.928 High Similarity NPC475671
0.9141 High Similarity NPC477368
0.9134 High Similarity NPC477360
0.907 High Similarity NPC477367
0.907 High Similarity NPC232888
0.9062 High Similarity NPC477364
0.8976 High Similarity NPC272946
0.8976 High Similarity NPC42234
0.8855 High Similarity NPC477358
0.8682 High Similarity NPC122504
0.8682 High Similarity NPC3450
0.8636 High Similarity NPC270364
0.8593 High Similarity NPC473654
0.85 High Similarity NPC477101
0.85 High Similarity NPC477097
0.85 High Similarity NPC477099
0.8496 Intermediate Similarity NPC472247
0.8467 Intermediate Similarity NPC477094
0.8467 Intermediate Similarity NPC477096
0.8456 Intermediate Similarity NPC473497
0.8444 Intermediate Similarity NPC276652
0.8358 Intermediate Similarity NPC290833
0.8358 Intermediate Similarity NPC475262
0.8358 Intermediate Similarity NPC265459
0.8345 Intermediate Similarity NPC471162
0.8333 Intermediate Similarity NPC45307
0.8333 Intermediate Similarity NPC153214
0.8322 Intermediate Similarity NPC477098
0.8322 Intermediate Similarity NPC477100
0.8321 Intermediate Similarity NPC475413
0.8321 Intermediate Similarity NPC474303
0.8296 Intermediate Similarity NPC285221
0.8296 Intermediate Similarity NPC194769
0.8286 Intermediate Similarity NPC477095
0.8284 Intermediate Similarity NPC472250
0.8239 Intermediate Similarity NPC25484
0.8239 Intermediate Similarity NPC232583
0.8239 Intermediate Similarity NPC125033
0.8235 Intermediate Similarity NPC86772
0.8201 Intermediate Similarity NPC82467
0.8175 Intermediate Similarity NPC272523
0.8175 Intermediate Similarity NPC325805
0.8156 Intermediate Similarity NPC170668
0.8134 Intermediate Similarity NPC233860
0.8134 Intermediate Similarity NPC239358
0.8134 Intermediate Similarity NPC233692
0.8116 Intermediate Similarity NPC475660
0.8116 Intermediate Similarity NPC251294
0.8099 Intermediate Similarity NPC205389
0.8074 Intermediate Similarity NPC472248
0.8015 Intermediate Similarity NPC311492
0.8015 Intermediate Similarity NPC28836
0.7956 Intermediate Similarity NPC79699
0.7956 Intermediate Similarity NPC200154
0.7929 Intermediate Similarity NPC242355
0.7899 Intermediate Similarity NPC52523
0.7899 Intermediate Similarity NPC217673
0.7899 Intermediate Similarity NPC202729
0.7895 Intermediate Similarity NPC472706
0.7872 Intermediate Similarity NPC183540
0.7857 Intermediate Similarity NPC473440
0.7852 Intermediate Similarity NPC475508
0.7842 Intermediate Similarity NPC27721
0.7836 Intermediate Similarity NPC472707
0.7829 Intermediate Similarity NPC472708
0.7803 Intermediate Similarity NPC472704
0.7801 Intermediate Similarity NPC187566
0.7786 Intermediate Similarity NPC473301
0.7754 Intermediate Similarity NPC153617
0.7754 Intermediate Similarity NPC471911
0.7754 Intermediate Similarity NPC329913
0.7754 Intermediate Similarity NPC4242
0.7746 Intermediate Similarity NPC63737
0.7727 Intermediate Similarity NPC472703
0.7669 Intermediate Similarity NPC140118
0.7669 Intermediate Similarity NPC12881
0.7656 Intermediate Similarity NPC9274
0.7647 Intermediate Similarity NPC477355
0.7634 Intermediate Similarity NPC474223
0.7634 Intermediate Similarity NPC475827
0.7626 Intermediate Similarity NPC324898
0.7626 Intermediate Similarity NPC298547
0.7626 Intermediate Similarity NPC470143
0.7626 Intermediate Similarity NPC126516
0.7626 Intermediate Similarity NPC322503
0.7626 Intermediate Similarity NPC134937
0.7622 Intermediate Similarity NPC140021
0.76 Intermediate Similarity NPC70344
0.7589 Intermediate Similarity NPC184109
0.7586 Intermediate Similarity NPC134131
0.7586 Intermediate Similarity NPC25043
0.7581 Intermediate Similarity NPC20485
0.7571 Intermediate Similarity NPC149401
0.7571 Intermediate Similarity NPC279637
0.7561 Intermediate Similarity NPC321670
0.7557 Intermediate Similarity NPC204784
0.7556 Intermediate Similarity NPC476599
0.7552 Intermediate Similarity NPC471862
0.7535 Intermediate Similarity NPC170718
0.7533 Intermediate Similarity NPC469456
0.7521 Intermediate Similarity NPC477356
0.7517 Intermediate Similarity NPC138641
0.7517 Intermediate Similarity NPC80895
0.7517 Intermediate Similarity NPC471912
0.7517 Intermediate Similarity NPC283875
0.7517 Intermediate Similarity NPC469648
0.7517 Intermediate Similarity NPC469647
0.7517 Intermediate Similarity NPC22571
0.75 Intermediate Similarity NPC203486
0.75 Intermediate Similarity NPC473243
0.75 Intermediate Similarity NPC474222
0.75 Intermediate Similarity NPC475804
0.75 Intermediate Similarity NPC51181
0.7468 Intermediate Similarity NPC165234
0.7468 Intermediate Similarity NPC55744
0.7468 Intermediate Similarity NPC475536
0.7466 Intermediate Similarity NPC277053
0.7466 Intermediate Similarity NPC301946
0.7465 Intermediate Similarity NPC205305
0.7465 Intermediate Similarity NPC327511
0.7464 Intermediate Similarity NPC49272
0.7464 Intermediate Similarity NPC82712
0.7463 Intermediate Similarity NPC474254
0.7463 Intermediate Similarity NPC474159
0.7459 Intermediate Similarity NPC118405
0.745 Intermediate Similarity NPC472398
0.7448 Intermediate Similarity NPC191387
0.7448 Intermediate Similarity NPC95449
0.7448 Intermediate Similarity NPC131966
0.7445 Intermediate Similarity NPC115797
0.7445 Intermediate Similarity NPC51448
0.7429 Intermediate Similarity NPC15850
0.7419 Intermediate Similarity NPC475300
0.7419 Intermediate Similarity NPC475437
0.7419 Intermediate Similarity NPC473641
0.7419 Intermediate Similarity NPC473797
0.7419 Intermediate Similarity NPC475505
0.7419 Intermediate Similarity NPC475464
0.7417 Intermediate Similarity NPC471176
0.7413 Intermediate Similarity NPC53361
0.7413 Intermediate Similarity NPC121268
0.741 Intermediate Similarity NPC470278
0.741 Intermediate Similarity NPC72915
0.741 Intermediate Similarity NPC472418
0.7405 Intermediate Similarity NPC152812
0.74 Intermediate Similarity NPC233581
0.74 Intermediate Similarity NPC145649
0.7391 Intermediate Similarity NPC225103
0.7381 Intermediate Similarity NPC469636
0.7379 Intermediate Similarity NPC471856
0.7379 Intermediate Similarity NPC475135
0.7372 Intermediate Similarity NPC473423
0.7372 Intermediate Similarity NPC169913
0.7368 Intermediate Similarity NPC11410
0.7364 Intermediate Similarity NPC307651
0.7357 Intermediate Similarity NPC80599
0.7357 Intermediate Similarity NPC209851
0.7353 Intermediate Similarity NPC246166
0.7353 Intermediate Similarity NPC284022
0.7347 Intermediate Similarity NPC127857
0.7347 Intermediate Similarity NPC478264
0.7338 Intermediate Similarity NPC473443
0.7338 Intermediate Similarity NPC472388
0.7338 Intermediate Similarity NPC475138
0.7333 Intermediate Similarity NPC161955
0.7333 Intermediate Similarity NPC477354
0.7329 Intermediate Similarity NPC284957
0.7329 Intermediate Similarity NPC477894
0.7313 Intermediate Similarity NPC50872
0.7303 Intermediate Similarity NPC251139
0.7299 Intermediate Similarity NPC470818
0.7299 Intermediate Similarity NPC275576
0.7297 Intermediate Similarity NPC478263
0.7293 Intermediate Similarity NPC202015
0.7292 Intermediate Similarity NPC9905
0.7285 Intermediate Similarity NPC240592
0.7285 Intermediate Similarity NPC117346
0.7279 Intermediate Similarity NPC328107
0.7279 Intermediate Similarity NPC471466
0.7278 Intermediate Similarity NPC161151
0.7273 Intermediate Similarity NPC87090
0.7273 Intermediate Similarity NPC94425
0.7273 Intermediate Similarity NPC159692
0.7266 Intermediate Similarity NPC477247
0.726 Intermediate Similarity NPC182869
0.7255 Intermediate Similarity NPC154675
0.7254 Intermediate Similarity NPC48929
0.7252 Intermediate Similarity NPC475305
0.7248 Intermediate Similarity NPC132652
0.7244 Intermediate Similarity NPC40178

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC477357 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
0.7958 Intermediate Similarity NPD7236 Approved
0.7787 Intermediate Similarity NPD6685 Approved
0.7687 Intermediate Similarity NPD7239 Suspended
0.7686 Intermediate Similarity NPD5738 Clinical (unspecified phase)
0.7554 Intermediate Similarity NPD7966 Clinical (unspecified phase)
0.7541 Intermediate Similarity NPD6647 Phase 2
0.7541 Intermediate Similarity NPD5765 Approved
0.746 Intermediate Similarity NPD2067 Discontinued
0.7422 Intermediate Similarity NPD7094 Approved
0.7422 Intermediate Similarity NPD6858 Approved
0.7357 Intermediate Similarity NPD7961 Discontinued
0.7344 Intermediate Similarity NPD6912 Phase 3
0.7313 Intermediate Similarity NPD7457 Clinical (unspecified phase)
0.7246 Intermediate Similarity NPD6085 Phase 2
0.7246 Intermediate Similarity NPD5740 Clinical (unspecified phase)
0.7246 Intermediate Similarity NPD6007 Clinical (unspecified phase)
0.7226 Intermediate Similarity NPD7057 Phase 3
0.7226 Intermediate Similarity NPD7058 Phase 2
0.7132 Intermediate Similarity NPD2181 Clinical (unspecified phase)
0.7045 Intermediate Similarity NPD2629 Approved
0.7045 Intermediate Similarity NPD690 Clinical (unspecified phase)
0.7025 Intermediate Similarity NPD5122 Clinical (unspecified phase)
0.6986 Remote Similarity NPD7305 Phase 1
0.6977 Remote Similarity NPD2182 Approved
0.6933 Remote Similarity NPD7799 Discontinued
0.6929 Remote Similarity NPD5909 Discontinued
0.688 Remote Similarity NPD2066 Phase 3
0.6866 Remote Similarity NPD4198 Discontinued
0.6842 Remote Similarity NPD6010 Discontinued
0.6829 Remote Similarity NPD1693 Approved
0.6809 Remote Similarity NPD6362 Approved
0.6783 Remote Similarity NPD7055 Discontinued
0.6779 Remote Similarity NPD6002 Phase 3
0.6779 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6779 Remote Similarity NPD6004 Phase 3
0.6779 Remote Similarity NPD6005 Phase 3
0.6779 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6759 Remote Similarity NPD6663 Approved
0.6744 Remote Similarity NPD5048 Discontinued
0.6736 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6735 Remote Similarity NPD6653 Approved
0.6719 Remote Similarity NPD1931 Clinical (unspecified phase)
0.6719 Remote Similarity NPD1929 Approved
0.6719 Remote Similarity NPD1930 Approved
0.6718 Remote Similarity NPD6831 Clinical (unspecified phase)
0.6716 Remote Similarity NPD2652 Approved
0.6716 Remote Similarity NPD2650 Approved
0.6715 Remote Similarity NPD7741 Discontinued
0.6715 Remote Similarity NPD7009 Phase 2
0.6714 Remote Similarity NPD6637 Approved
0.6713 Remote Similarity NPD5736 Approved
0.6711 Remote Similarity NPD7137 Phase 2
0.6667 Remote Similarity NPD6355 Discontinued
0.6667 Remote Similarity NPD164 Approved
0.6667 Remote Similarity NPD1088 Approved
0.6643 Remote Similarity NPD5647 Approved
0.6642 Remote Similarity NPD7610 Discontinued
0.6641 Remote Similarity NPD6881 Approved
0.6641 Remote Similarity NPD6899 Approved
0.6639 Remote Similarity NPD3672 Approved
0.6639 Remote Similarity NPD3673 Approved
0.6619 Remote Similarity NPD3412 Clinical (unspecified phase)
0.6617 Remote Similarity NPD4141 Clinical (unspecified phase)
0.6617 Remote Similarity NPD6649 Approved
0.6617 Remote Similarity NPD6650 Approved
0.6565 Remote Similarity NPD5697 Approved
0.6557 Remote Similarity NPD5346 Phase 2
0.6557 Remote Similarity NPD5347 Phase 2
0.6544 Remote Similarity NPD4766 Approved
0.6541 Remote Similarity NPD7102 Approved
0.6541 Remote Similarity NPD7290 Approved
0.6541 Remote Similarity NPD6883 Approved
0.6538 Remote Similarity NPD6273 Approved
0.6538 Remote Similarity NPD1237 Approved
0.6535 Remote Similarity NPD9495 Approved
0.6525 Remote Similarity NPD6287 Discontinued
0.6525 Remote Similarity NPD4807 Approved
0.6525 Remote Similarity NPD4806 Approved
0.6515 Remote Similarity NPD6406 Approved
0.6512 Remote Similarity NPD1932 Approved
0.6507 Remote Similarity NPD7008 Discontinued
0.6504 Remote Similarity NPD1089 Approved
0.6504 Remote Similarity NPD1086 Approved
0.6504 Remote Similarity NPD1090 Approved
0.6504 Remote Similarity NPD5785 Approved
0.65 Remote Similarity NPD5306 Approved
0.65 Remote Similarity NPD5305 Approved
0.6493 Remote Similarity NPD6847 Approved
0.6493 Remote Similarity NPD6617 Approved
0.6493 Remote Similarity NPD8130 Phase 1
0.6493 Remote Similarity NPD6869 Approved
0.6489 Remote Similarity NPD6675 Approved
0.6489 Remote Similarity NPD6402 Approved
0.6489 Remote Similarity NPD5739 Approved
0.6489 Remote Similarity NPD7128 Approved
0.6484 Remote Similarity NPD7798 Approved
0.6483 Remote Similarity NPD3662 Phase 3
0.6483 Remote Similarity NPD3661 Approved
0.6483 Remote Similarity NPD3664 Approved
0.6483 Remote Similarity NPD7084 Phase 3
0.6483 Remote Similarity NPD3663 Approved
0.6471 Remote Similarity NPD7685 Pre-registration
0.6466 Remote Similarity NPD6012 Approved
0.6466 Remote Similarity NPD6372 Approved
0.6466 Remote Similarity NPD6373 Approved
0.6466 Remote Similarity NPD2329 Discontinued
0.6466 Remote Similarity NPD6014 Approved
0.6466 Remote Similarity NPD6013 Approved
0.6447 Remote Similarity NPD7702 Clinical (unspecified phase)
0.6444 Remote Similarity NPD969 Suspended
0.6444 Remote Similarity NPD6882 Approved
0.6444 Remote Similarity NPD8297 Approved
0.6444 Remote Similarity NPD1609 Clinical (unspecified phase)
0.6429 Remote Similarity NPD4628 Phase 3
0.6429 Remote Similarity NPD8166 Discontinued
0.6423 Remote Similarity NPD800 Approved
0.6423 Remote Similarity NPD5951 Approved
0.6418 Remote Similarity NPD1317 Discontinued
0.6418 Remote Similarity NPD6371 Approved
0.6393 Remote Similarity NPD4793 Discontinued
0.6391 Remote Similarity NPD7320 Approved
0.6391 Remote Similarity NPD6011 Approved
0.6387 Remote Similarity NPD6190 Approved
0.6378 Remote Similarity NPD1989 Approved
0.6377 Remote Similarity NPD7115 Discovery
0.6374 Remote Similarity NPD6765 Approved
0.6374 Remote Similarity NPD6764 Approved
0.6358 Remote Similarity NPD5761 Phase 2
0.6358 Remote Similarity NPD5760 Phase 2
0.6357 Remote Similarity NPD9545 Approved
0.6357 Remote Similarity NPD1238 Approved
0.6351 Remote Similarity NPD3268 Approved
0.634 Remote Similarity NPD5762 Approved
0.634 Remote Similarity NPD5763 Approved
0.634 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6338 Remote Similarity NPD4136 Approved
0.6338 Remote Similarity NPD4106 Approved
0.6338 Remote Similarity NPD4135 Approved
0.6333 Remote Similarity NPD4684 Phase 3
0.6333 Remote Similarity NPD4686 Approved
0.6333 Remote Similarity NPD4685 Phase 3
0.6328 Remote Similarity NPD6084 Phase 2
0.6328 Remote Similarity NPD6083 Phase 2
0.6316 Remote Similarity NPD5701 Approved
0.6312 Remote Similarity NPD5585 Approved
0.6303 Remote Similarity NPD226 Approved
0.6299 Remote Similarity NPD5695 Phase 3
0.6299 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6296 Remote Similarity NPD4233 Approved
0.6296 Remote Similarity NPD4234 Approved
0.6289 Remote Similarity NPD7606 Phase 3
0.6286 Remote Similarity NPD8424 Clinical (unspecified phase)
0.6286 Remote Similarity NPD6065 Approved
0.6279 Remote Similarity NPD5696 Approved
0.6279 Remote Similarity NPD8368 Discontinued
0.6279 Remote Similarity NPD5926 Approved
0.6267 Remote Similarity NPD4140 Approved
0.6266 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6264 Remote Similarity NPD8407 Phase 2
0.626 Remote Similarity NPD1087 Approved
0.626 Remote Similarity NPD1282 Approved
0.626 Remote Similarity NPD5211 Phase 2
0.6259 Remote Similarity NPD3317 Approved
0.6259 Remote Similarity NPD5204 Approved
0.625 Remote Similarity NPD6435 Approved
0.6243 Remote Similarity NPD7962 Phase 2
0.6242 Remote Similarity NPD3764 Approved
0.6241 Remote Similarity NPD4479 Discontinued
0.6233 Remote Similarity NPD2797 Approved
0.6231 Remote Similarity NPD5285 Approved
0.6231 Remote Similarity NPD5286 Approved
0.6231 Remote Similarity NPD4696 Approved
0.623 Remote Similarity NPD5734 Clinical (unspecified phase)
0.6229 Remote Similarity NPD8055 Clinical (unspecified phase)
0.6229 Remote Similarity NPD6784 Approved
0.6229 Remote Similarity NPD6785 Approved
0.6228 Remote Similarity NPD8127 Discontinued
0.6218 Remote Similarity NPD4109 Clinical (unspecified phase)
0.6218 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6218 Remote Similarity NPD4110 Phase 3
0.6218 Remote Similarity NPD7488 Clinical (unspecified phase)
0.6218 Remote Similarity NPD2575 Approved
0.6211 Remote Similarity NPD7458 Discontinued
0.6209 Remote Similarity NPD2799 Discontinued
0.6209 Remote Similarity NPD7033 Discontinued
0.6204 Remote Similarity NPD6053 Discontinued
0.62 Remote Similarity NPD2572 Clinical (unspecified phase)
0.62 Remote Similarity NPD3090 Approved
0.62 Remote Similarity NPD3088 Approved
0.62 Remote Similarity NPD3614 Approved
0.62 Remote Similarity NPD4746 Phase 3
0.62 Remote Similarity NPD2571 Approved
0.62 Remote Similarity NPD8032 Phase 2
0.62 Remote Similarity NPD3087 Approved
0.62 Remote Similarity NPD3615 Approved
0.62 Remote Similarity NPD3089 Approved
0.62 Remote Similarity NPD4745 Approved
0.62 Remote Similarity NPD2566 Approved
0.62 Remote Similarity NPD7715 Approved
0.62 Remote Similarity NPD7714 Approved

Structure

External Identifiers

PubChem CID   56662975
ChEMBL   CHEMBL1801688
ZINC  

Physicochemical Properties

Molecular Weight:  464.26
ALogP:  1.2248
MLogP:  4.1
XLogP:  7.661
# Rotatable Bonds:  10
Polar Surface Area:  76.13
# H-Bond Aceptor:  5
# H-Bond Donor:  1
# Rings:  5
# Heavy Atoms:  34

Download Data

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