Natural Product: NPC477370

Natural Product ID:  NPC477370
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C29H36O5
Standard InCHIKey:  SXGKGXOUXRBQMQ-DPAOASNOSA-N
Standard InCHI:  InChI=1S/C29H36O5/c1-17-11-13-21-22(28(21,4)5)15-18(2)27(33)29(16-19(3)26(32)24(29)25(17)31)34-23(30)14-12-20-9-7-6-8-10-20/h6-10,12,14-15,19,21-22,24-26,31-32H,1,11,13,16H2,2-5H3/b14-12+,18-15+/t19-,21-,22-,24-,25-,26-,29+/m0/s1
Canonical SMILES:  O=C(O[C@]12C[C@@H]([C@@H]([C@@H]1[C@@H](O)C(=C)CC[C@H]1[C@H](/C=C(/C2=O)C)C1(C)C)O)C)/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 NPC477370 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
0.9917 High Similarity NPC477365
0.9833 High Similarity NPC477363
0.9833 High Similarity NPC477366
0.9754 High Similarity NPC37968
0.9667 High Similarity NPC477362
0.959 High Similarity NPC477357
0.9504 High Similarity NPC8990
0.9449 High Similarity NPC232888
0.9449 High Similarity NPC477367
0.9426 High Similarity NPC477369
0.937 High Similarity NPC477368
0.9291 High Similarity NPC477364
0.907 High Similarity NPC477359
0.9055 High Similarity NPC475671
0.9055 High Similarity NPC42234
0.9055 High Similarity NPC475452
0.8915 High Similarity NPC477360
0.8906 High Similarity NPC272946
0.8712 High Similarity NPC472247
0.8712 High Similarity NPC270364
0.8647 High Similarity NPC477358
0.8571 High Similarity NPC477099
0.8571 High Similarity NPC477101
0.8571 High Similarity NPC477097
0.8551 High Similarity NPC471162
0.8529 High Similarity NPC473497
0.8519 High Similarity NPC276652
0.8473 Intermediate Similarity NPC3450
0.8473 Intermediate Similarity NPC122504
0.8433 Intermediate Similarity NPC290833
0.8433 Intermediate Similarity NPC265459
0.8433 Intermediate Similarity NPC475262
0.8406 Intermediate Similarity NPC45307
0.8406 Intermediate Similarity NPC153214
0.8394 Intermediate Similarity NPC475413
0.8394 Intermediate Similarity NPC474303
0.8394 Intermediate Similarity NPC473654
0.8392 Intermediate Similarity NPC477098
0.8392 Intermediate Similarity NPC477100
0.837 Intermediate Similarity NPC285221
0.837 Intermediate Similarity NPC194769
0.8358 Intermediate Similarity NPC472250
0.8346 Intermediate Similarity NPC233692
0.831 Intermediate Similarity NPC232583
0.831 Intermediate Similarity NPC125033
0.831 Intermediate Similarity NPC25484
0.8309 Intermediate Similarity NPC86772
0.8298 Intermediate Similarity NPC205389
0.8273 Intermediate Similarity NPC477096
0.8273 Intermediate Similarity NPC477094
0.8248 Intermediate Similarity NPC272523
0.8248 Intermediate Similarity NPC325805
0.8227 Intermediate Similarity NPC170668
0.8222 Intermediate Similarity NPC311492
0.8222 Intermediate Similarity NPC28836
0.8209 Intermediate Similarity NPC239358
0.8188 Intermediate Similarity NPC251294
0.8188 Intermediate Similarity NPC475660
0.8148 Intermediate Similarity NPC472248
0.8143 Intermediate Similarity NPC82467
0.8129 Intermediate Similarity NPC242355
0.8102 Intermediate Similarity NPC217673
0.8102 Intermediate Similarity NPC52523
0.8102 Intermediate Similarity NPC202729
0.8099 Intermediate Similarity NPC477095
0.8074 Intermediate Similarity NPC233860
0.8047 Intermediate Similarity NPC472708
0.8043 Intermediate Similarity NPC27721
0.8029 Intermediate Similarity NPC200154
0.8029 Intermediate Similarity NPC79699
0.7986 Intermediate Similarity NPC473301
0.797 Intermediate Similarity NPC472706
0.7929 Intermediate Similarity NPC473440
0.791 Intermediate Similarity NPC472707
0.7879 Intermediate Similarity NPC140118
0.7879 Intermediate Similarity NPC12881
0.7833 Intermediate Similarity NPC118405
0.7826 Intermediate Similarity NPC470143
0.7826 Intermediate Similarity NPC322503
0.7817 Intermediate Similarity NPC140021
0.7817 Intermediate Similarity NPC183540
0.7794 Intermediate Similarity NPC475508
0.7787 Intermediate Similarity NPC321670
0.7778 Intermediate Similarity NPC25043
0.7778 Intermediate Similarity NPC134131
0.7746 Intermediate Similarity NPC187566
0.7744 Intermediate Similarity NPC472704
0.7734 Intermediate Similarity NPC9274
0.7703 Intermediate Similarity NPC22571
0.7703 Intermediate Similarity NPC138641
0.7703 Intermediate Similarity NPC283875
0.7703 Intermediate Similarity NPC469648
0.7703 Intermediate Similarity NPC469647
0.7698 Intermediate Similarity NPC153617
0.7698 Intermediate Similarity NPC471911
0.7698 Intermediate Similarity NPC4242
0.7698 Intermediate Similarity NPC329913
0.7698 Intermediate Similarity NPC126516
0.7692 Intermediate Similarity NPC63737
0.7669 Intermediate Similarity NPC472703
0.7667 Intermediate Similarity NPC70344
0.7664 Intermediate Similarity NPC49272
0.7661 Intermediate Similarity NPC20485
0.7655 Intermediate Similarity NPC301946
0.7655 Intermediate Similarity NPC277053
0.7639 Intermediate Similarity NPC95449
0.7635 Intermediate Similarity NPC472398
0.763 Intermediate Similarity NPC476599
0.7626 Intermediate Similarity NPC15850
0.7619 Intermediate Similarity NPC477247
0.7612 Intermediate Similarity NPC471466
0.7606 Intermediate Similarity NPC170718
0.76 Intermediate Similarity NPC469456
0.7586 Intermediate Similarity NPC80895
0.7586 Intermediate Similarity NPC471912
0.7584 Intermediate Similarity NPC145649
0.7584 Intermediate Similarity NPC233581
0.7576 Intermediate Similarity NPC475827
0.7576 Intermediate Similarity NPC474223
0.7576 Intermediate Similarity NPC473243
0.7574 Intermediate Similarity NPC169913
0.7571 Intermediate Similarity NPC298547
0.7571 Intermediate Similarity NPC134937
0.7571 Intermediate Similarity NPC324898
0.7571 Intermediate Similarity NPC203486
0.755 Intermediate Similarity NPC11410
0.7536 Intermediate Similarity NPC82712
0.7536 Intermediate Similarity NPC472388
0.7535 Intermediate Similarity NPC184109
0.7532 Intermediate Similarity NPC165234
0.7532 Intermediate Similarity NPC475536
0.7532 Intermediate Similarity NPC55744
0.7518 Intermediate Similarity NPC279637
0.7518 Intermediate Similarity NPC51448
0.7518 Intermediate Similarity NPC115797
0.7518 Intermediate Similarity NPC149401
0.7517 Intermediate Similarity NPC284957
0.7517 Intermediate Similarity NPC161955
0.75 Intermediate Similarity NPC275576
0.75 Intermediate Similarity NPC471862
0.75 Intermediate Similarity NPC87090
0.75 Intermediate Similarity NPC204784
0.7484 Intermediate Similarity NPC475437
0.7484 Intermediate Similarity NPC475464
0.7484 Intermediate Similarity NPC473641
0.7484 Intermediate Similarity NPC475505
0.7484 Intermediate Similarity NPC473797
0.7484 Intermediate Similarity NPC475300
0.7483 Intermediate Similarity NPC9905
0.7483 Intermediate Similarity NPC471176
0.7482 Intermediate Similarity NPC72915
0.7467 Intermediate Similarity NPC240592
0.7467 Intermediate Similarity NPC117346
0.7464 Intermediate Similarity NPC225103
0.7459 Intermediate Similarity NPC477356
0.7452 Intermediate Similarity NPC161151
0.7448 Intermediate Similarity NPC51181
0.7448 Intermediate Similarity NPC182869
0.7447 Intermediate Similarity NPC477281
0.7447 Intermediate Similarity NPC477280
0.7447 Intermediate Similarity NPC19719
0.7444 Intermediate Similarity NPC475804
0.7444 Intermediate Similarity NPC474222
0.744 Intermediate Similarity NPC477251
0.7432 Intermediate Similarity NPC132652
0.7431 Intermediate Similarity NPC87934
0.7431 Intermediate Similarity NPC79921
0.7431 Intermediate Similarity NPC162613
0.7429 Intermediate Similarity NPC80599
0.7422 Intermediate Similarity NPC477250
0.7415 Intermediate Similarity NPC478264
0.7413 Intermediate Similarity NPC327511
0.7413 Intermediate Similarity NPC205305
0.741 Intermediate Similarity NPC475138
0.741 Intermediate Similarity NPC473443
0.7407 Intermediate Similarity NPC474254
0.7407 Intermediate Similarity NPC474159
0.74 Intermediate Similarity NPC471103
0.7397 Intermediate Similarity NPC131966
0.7397 Intermediate Similarity NPC477894
0.7397 Intermediate Similarity NPC191387
0.7394 Intermediate Similarity NPC477893
0.7394 Intermediate Similarity NPC477896
0.7391 Intermediate Similarity NPC58061
0.7376 Intermediate Similarity NPC323379
0.7376 Intermediate Similarity NPC327204
0.7372 Intermediate Similarity NPC79608
0.7368 Intermediate Similarity NPC132599
0.7368 Intermediate Similarity NPC473670
0.7368 Intermediate Similarity NPC21410
0.7368 Intermediate Similarity NPC251139
0.7368 Intermediate Similarity NPC473632
0.7368 Intermediate Similarity NPC469730
0.7365 Intermediate Similarity NPC478263
0.7364 Intermediate Similarity NPC287055
0.7364 Intermediate Similarity NPC242957
0.7364 Intermediate Similarity NPC477245
0.7364 Intermediate Similarity NPC477246
0.7364 Intermediate Similarity NPC306977
0.7364 Intermediate Similarity NPC206414

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC477370 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
0.8156 Intermediate Similarity NPD7236 Approved
0.7917 Intermediate Similarity NPD5738 Clinical (unspecified phase)
0.7877 Intermediate Similarity NPD7239 Suspended
0.7869 Intermediate Similarity NPD6685 Approved
0.7769 Intermediate Similarity NPD6647 Phase 2
0.7754 Intermediate Similarity NPD7966 Clinical (unspecified phase)
0.7623 Intermediate Similarity NPD5765 Approved
0.754 Intermediate Similarity NPD2067 Discontinued
0.7445 Intermediate Similarity NPD6085 Phase 2
0.7445 Intermediate Similarity NPD6007 Clinical (unspecified phase)
0.7445 Intermediate Similarity NPD5740 Clinical (unspecified phase)
0.7429 Intermediate Similarity NPD7961 Discontinued
0.7422 Intermediate Similarity NPD6912 Phase 3
0.7403 Intermediate Similarity NPD7057 Phase 3
0.7403 Intermediate Similarity NPD7058 Phase 2
0.7364 Intermediate Similarity NPD6858 Approved
0.7364 Intermediate Similarity NPD7094 Approved
0.7259 Intermediate Similarity NPD7457 Clinical (unspecified phase)
0.7252 Intermediate Similarity NPD690 Clinical (unspecified phase)
0.7252 Intermediate Similarity NPD2629 Approved
0.7172 Intermediate Similarity NPD7305 Phase 1
0.7099 Intermediate Similarity NPD7799 Discontinued
0.7077 Intermediate Similarity NPD2181 Clinical (unspecified phase)
0.7008 Intermediate Similarity NPD5909 Discontinued
0.6967 Remote Similarity NPD5122 Clinical (unspecified phase)
0.6959 Remote Similarity NPD6002 Phase 3
0.6959 Remote Similarity NPD6005 Phase 3
0.6959 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6959 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6959 Remote Similarity NPD6004 Phase 3
0.6953 Remote Similarity NPD5048 Discontinued
0.694 Remote Similarity NPD4198 Discontinued
0.6923 Remote Similarity NPD2182 Approved
0.6918 Remote Similarity NPD6653 Approved
0.6917 Remote Similarity NPD6010 Discontinued
0.6912 Remote Similarity NPD7741 Discontinued
0.6892 Remote Similarity NPD7137 Phase 2
0.6879 Remote Similarity NPD6362 Approved
0.6846 Remote Similarity NPD6899 Approved
0.6846 Remote Similarity NPD6881 Approved
0.6831 Remote Similarity NPD5647 Approved
0.6828 Remote Similarity NPD6663 Approved
0.6825 Remote Similarity NPD2066 Phase 3
0.6818 Remote Similarity NPD6649 Approved
0.6818 Remote Similarity NPD6650 Approved
0.6806 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6794 Remote Similarity NPD6831 Clinical (unspecified phase)
0.6783 Remote Similarity NPD5736 Approved
0.6774 Remote Similarity NPD1693 Approved
0.6769 Remote Similarity NPD5697 Approved
0.6746 Remote Similarity NPD9495 Approved
0.6744 Remote Similarity NPD1237 Approved
0.6742 Remote Similarity NPD6883 Approved
0.6742 Remote Similarity NPD7102 Approved
0.6742 Remote Similarity NPD7290 Approved
0.6736 Remote Similarity NPD7055 Discontinued
0.6735 Remote Similarity NPD6355 Discontinued
0.6721 Remote Similarity NPD5785 Approved
0.6718 Remote Similarity NPD6406 Approved
0.6692 Remote Similarity NPD6847 Approved
0.6692 Remote Similarity NPD6675 Approved
0.6692 Remote Similarity NPD7128 Approved
0.6692 Remote Similarity NPD6402 Approved
0.6692 Remote Similarity NPD6617 Approved
0.6692 Remote Similarity NPD6869 Approved
0.6692 Remote Similarity NPD8130 Phase 1
0.6692 Remote Similarity NPD4141 Clinical (unspecified phase)
0.6692 Remote Similarity NPD5739 Approved
0.6667 Remote Similarity NPD6013 Approved
0.6667 Remote Similarity NPD1930 Approved
0.6667 Remote Similarity NPD2650 Approved
0.6667 Remote Similarity NPD1929 Approved
0.6667 Remote Similarity NPD6190 Approved
0.6667 Remote Similarity NPD1931 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6014 Approved
0.6667 Remote Similarity NPD2652 Approved
0.6667 Remote Similarity NPD6012 Approved
0.6667 Remote Similarity NPD6637 Approved
0.6667 Remote Similarity NPD7009 Phase 2
0.6667 Remote Similarity NPD6372 Approved
0.6667 Remote Similarity NPD6373 Approved
0.6642 Remote Similarity NPD8297 Approved
0.6642 Remote Similarity NPD6882 Approved
0.6617 Remote Similarity NPD6371 Approved
0.6615 Remote Similarity NPD164 Approved
0.6613 Remote Similarity NPD1088 Approved
0.6603 Remote Similarity NPD6273 Approved
0.6601 Remote Similarity NPD4628 Phase 3
0.6596 Remote Similarity NPD4806 Approved
0.6596 Remote Similarity NPD4807 Approved
0.6594 Remote Similarity NPD7610 Discontinued
0.6591 Remote Similarity NPD7320 Approved
0.6591 Remote Similarity NPD6011 Approved
0.6585 Remote Similarity NPD3673 Approved
0.6585 Remote Similarity NPD3672 Approved
0.6575 Remote Similarity NPD7008 Discontinued
0.6571 Remote Similarity NPD3412 Clinical (unspecified phase)
0.6571 Remote Similarity NPD5305 Approved
0.6571 Remote Similarity NPD5306 Approved
0.6552 Remote Similarity NPD3661 Approved
0.6552 Remote Similarity NPD3663 Approved
0.6552 Remote Similarity NPD3662 Phase 3
0.6552 Remote Similarity NPD3664 Approved
0.6535 Remote Similarity NPD6084 Phase 2
0.6535 Remote Similarity NPD6083 Phase 2
0.6529 Remote Similarity NPD7685 Pre-registration
0.6529 Remote Similarity NPD6764 Approved
0.6529 Remote Similarity NPD6765 Approved
0.6522 Remote Similarity NPD5760 Phase 2
0.6522 Remote Similarity NPD5761 Phase 2
0.6515 Remote Similarity NPD5701 Approved
0.6513 Remote Similarity NPD5762 Approved
0.6513 Remote Similarity NPD5763 Approved
0.6504 Remote Similarity NPD5346 Phase 2
0.6504 Remote Similarity NPD5347 Phase 2
0.6496 Remote Similarity NPD4766 Approved
0.6496 Remote Similarity NPD5951 Approved
0.6494 Remote Similarity NPD8166 Discontinued
0.6479 Remote Similarity NPD6287 Discontinued
0.6462 Remote Similarity NPD5211 Phase 2
0.6462 Remote Similarity NPD1932 Approved
0.6452 Remote Similarity NPD1089 Approved
0.6452 Remote Similarity NPD1090 Approved
0.6452 Remote Similarity NPD1086 Approved
0.6449 Remote Similarity NPD7115 Discovery
0.6438 Remote Similarity NPD7084 Phase 3
0.6437 Remote Similarity NPD8424 Clinical (unspecified phase)
0.6434 Remote Similarity NPD7798 Approved
0.6433 Remote Similarity NPD8368 Discontinued
0.6433 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6429 Remote Similarity NPD9545 Approved
0.6419 Remote Similarity NPD3268 Approved
0.6418 Remote Similarity NPD2329 Discontinued
0.6416 Remote Similarity NPD8407 Phase 2
0.6408 Remote Similarity NPD4136 Approved
0.6408 Remote Similarity NPD4106 Approved
0.6408 Remote Similarity NPD4135 Approved
0.6405 Remote Similarity NPD7702 Clinical (unspecified phase)
0.6397 Remote Similarity NPD1609 Clinical (unspecified phase)
0.6397 Remote Similarity NPD969 Suspended
0.6395 Remote Similarity NPD7962 Phase 2
0.6382 Remote Similarity NPD7033 Discontinued
0.6379 Remote Similarity NPD6785 Approved
0.6379 Remote Similarity NPD6784 Approved
0.6378 Remote Similarity NPD5695 Phase 3
0.6378 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6376 Remote Similarity NPD7715 Approved
0.6376 Remote Similarity NPD7714 Approved
0.6371 Remote Similarity NPD800 Approved
0.637 Remote Similarity NPD1317 Discontinued
0.6364 Remote Similarity NPD5141 Approved
0.6357 Remote Similarity NPD7101 Approved
0.6357 Remote Similarity NPD5696 Approved
0.6357 Remote Similarity NPD7100 Approved
0.6352 Remote Similarity NPD7606 Phase 3
0.6343 Remote Similarity NPD8434 Phase 2
0.6341 Remote Similarity NPD4793 Discontinued
0.6333 Remote Similarity NPD6435 Approved
0.6333 Remote Similarity NPD4140 Approved
0.6328 Remote Similarity NPD1989 Approved
0.6327 Remote Similarity NPD5204 Approved
0.6324 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6311 Remote Similarity NPD5734 Clinical (unspecified phase)
0.6311 Remote Similarity NPD5363 Approved
0.6309 Remote Similarity NPD3764 Approved
0.6308 Remote Similarity NPD5286 Approved
0.6308 Remote Similarity NPD4696 Approved
0.6308 Remote Similarity NPD1238 Approved
0.6308 Remote Similarity NPD5285 Approved
0.6301 Remote Similarity NPD2797 Approved
0.6299 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6294 Remote Similarity NPD7604 Phase 2
0.6287 Remote Similarity NPD8127 Discontinued
0.6286 Remote Similarity NPD8055 Clinical (unspecified phase)
0.6286 Remote Similarity NPD6335 Approved
0.6286 Remote Similarity NPD694 Clinical (unspecified phase)
0.6282 Remote Similarity NPD2575 Approved
0.6282 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6282 Remote Similarity NPD7488 Clinical (unspecified phase)
0.6277 Remote Similarity NPD6053 Discontinued
0.6273 Remote Similarity NPD7458 Discontinued
0.6268 Remote Similarity NPD4102 Approved
0.6268 Remote Similarity NPD5585 Approved
0.6268 Remote Similarity NPD4105 Approved
0.6267 Remote Similarity NPD6233 Phase 2
0.626 Remote Similarity NPD5786 Approved
0.6259 Remote Similarity NPD6274 Approved
0.625 Remote Similarity NPD226 Approved
0.625 Remote Similarity NPD6049 Phase 2
0.625 Remote Similarity NPD2609 Approved
0.625 Remote Similarity NPD3132 Approved
0.625 Remote Similarity NPD4215 Approved
0.625 Remote Similarity NPD4218 Approved
0.625 Remote Similarity NPD6048 Clinical (unspecified phase)
0.625 Remote Similarity NPD4233 Approved
0.625 Remote Similarity NPD4216 Approved
0.625 Remote Similarity NPD2610 Approved
0.625 Remote Similarity NPD2612 Approved
0.625 Remote Similarity NPD2608 Approved
0.625 Remote Similarity NPD3131 Approved

Structure

External Identifiers

PubChem CID   56669872
ChEMBL   CHEMBL1801701
ZINC  

Physicochemical Properties

Molecular Weight:  464.26
ALogP:  1.0827
MLogP:  4.1
XLogP:  6.684
# Rotatable Bonds:  10
Polar Surface Area:  83.83
# H-Bond Aceptor:  5
# H-Bond Donor:  2
# Rings:  4
# Heavy Atoms:  34

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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