Natural Product: NPC477363

Natural Product ID:  NPC477363
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C29H36O4
Standard InCHIKey:  CECZLHJZSYFSLY-GHZVEZLISA-N
Standard InCHI:  InChI=1S/C29H36O4/c1-18-11-13-22-23(28(22,4)5)16-19(2)27(32)29(17-20(3)26(31)24(29)15-18)33-25(30)14-12-21-9-7-6-8-10-21/h6-10,12,14-16,20,22-24,26,31H,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@]12C[C@@H]([C@@H]([C@@H]1/C=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
NPT24 Organism Human immunodeficiency virus 1 Human immunodeficiency virus 1 IC50 = 8200 nM 21534583
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 NPC477363 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
0.9833 High Similarity NPC477370
0.9832 High Similarity NPC477366
0.9831 High Similarity NPC477362
0.9752 High Similarity NPC37968
0.975 High Similarity NPC477365
0.9587 High Similarity NPC477357
0.95 High Similarity NPC8990
0.944 High Similarity NPC477364
0.9421 High Similarity NPC477369
0.9365 High Similarity NPC477368
0.9291 High Similarity NPC232888
0.9291 High Similarity NPC477367
0.9062 High Similarity NPC477359
0.9048 High Similarity NPC272946
0.9048 High Similarity NPC475452
0.9048 High Similarity NPC475671
0.9048 High Similarity NPC42234
0.8906 High Similarity NPC477360
0.8702 High Similarity NPC270364
0.8636 High Similarity NPC477358
0.8561 High Similarity NPC472247
0.854 High Similarity NPC471162
0.8519 High Similarity NPC473497
0.8507 High Similarity NPC276652
0.8462 Intermediate Similarity NPC3450
0.8462 Intermediate Similarity NPC122504
0.8429 Intermediate Similarity NPC477099
0.8429 Intermediate Similarity NPC477097
0.8429 Intermediate Similarity NPC477101
0.8421 Intermediate Similarity NPC290833
0.8421 Intermediate Similarity NPC265459
0.8421 Intermediate Similarity NPC475262
0.8394 Intermediate Similarity NPC45307
0.8394 Intermediate Similarity NPC153214
0.8382 Intermediate Similarity NPC475413
0.8382 Intermediate Similarity NPC473654
0.8382 Intermediate Similarity NPC474303
0.8358 Intermediate Similarity NPC194769
0.8358 Intermediate Similarity NPC285221
0.8346 Intermediate Similarity NPC472250
0.8298 Intermediate Similarity NPC25484
0.8298 Intermediate Similarity NPC232583
0.8298 Intermediate Similarity NPC125033
0.8296 Intermediate Similarity NPC86772
0.8286 Intermediate Similarity NPC205389
0.8261 Intermediate Similarity NPC477096
0.8261 Intermediate Similarity NPC477094
0.8252 Intermediate Similarity NPC477098
0.8252 Intermediate Similarity NPC477100
0.8235 Intermediate Similarity NPC325805
0.8235 Intermediate Similarity NPC272523
0.8214 Intermediate Similarity NPC170668
0.8195 Intermediate Similarity NPC239358
0.8195 Intermediate Similarity NPC233692
0.8175 Intermediate Similarity NPC475660
0.8175 Intermediate Similarity NPC251294
0.8134 Intermediate Similarity NPC472248
0.8129 Intermediate Similarity NPC82467
0.8085 Intermediate Similarity NPC477095
0.8074 Intermediate Similarity NPC311492
0.8074 Intermediate Similarity NPC28836
0.806 Intermediate Similarity NPC233860
0.8015 Intermediate Similarity NPC79699
0.8015 Intermediate Similarity NPC200154
0.7986 Intermediate Similarity NPC242355
0.7956 Intermediate Similarity NPC52523
0.7956 Intermediate Similarity NPC202729
0.7956 Intermediate Similarity NPC217673
0.7955 Intermediate Similarity NPC472706
0.7914 Intermediate Similarity NPC473440
0.7899 Intermediate Similarity NPC27721
0.7895 Intermediate Similarity NPC472707
0.7891 Intermediate Similarity NPC472708
0.7842 Intermediate Similarity NPC473301
0.7801 Intermediate Similarity NPC183540
0.7787 Intermediate Similarity NPC20485
0.7778 Intermediate Similarity NPC475508
0.7769 Intermediate Similarity NPC321670
0.773 Intermediate Similarity NPC187566
0.7727 Intermediate Similarity NPC472704
0.7727 Intermediate Similarity NPC140118
0.7727 Intermediate Similarity NPC12881
0.7717 Intermediate Similarity NPC9274
0.7692 Intermediate Similarity NPC474223
0.7692 Intermediate Similarity NPC475827
0.7681 Intermediate Similarity NPC4242
0.7681 Intermediate Similarity NPC126516
0.7681 Intermediate Similarity NPC153617
0.7681 Intermediate Similarity NPC470143
0.7681 Intermediate Similarity NPC322503
0.7681 Intermediate Similarity NPC471911
0.7681 Intermediate Similarity NPC329913
0.7676 Intermediate Similarity NPC63737
0.7676 Intermediate Similarity NPC140021
0.7667 Intermediate Similarity NPC118405
0.7652 Intermediate Similarity NPC472703
0.7651 Intermediate Similarity NPC70344
0.7639 Intermediate Similarity NPC301946
0.7639 Intermediate Similarity NPC25043
0.7639 Intermediate Similarity NPC134131
0.7639 Intermediate Similarity NPC277053
0.7627 Intermediate Similarity NPC87090
0.7615 Intermediate Similarity NPC204784
0.7612 Intermediate Similarity NPC476599
0.7609 Intermediate Similarity NPC15850
0.7594 Intermediate Similarity NPC471466
0.7589 Intermediate Similarity NPC170718
0.7584 Intermediate Similarity NPC469456
0.7569 Intermediate Similarity NPC80895
0.7569 Intermediate Similarity NPC471912
0.7568 Intermediate Similarity NPC22571
0.7568 Intermediate Similarity NPC138641
0.7568 Intermediate Similarity NPC283875
0.7568 Intermediate Similarity NPC469648
0.7568 Intermediate Similarity NPC469647
0.7557 Intermediate Similarity NPC473243
0.7554 Intermediate Similarity NPC134937
0.7554 Intermediate Similarity NPC324898
0.7554 Intermediate Similarity NPC298547
0.7554 Intermediate Similarity NPC203486
0.7552 Intermediate Similarity NPC51181
0.7519 Intermediate Similarity NPC474159
0.7519 Intermediate Similarity NPC474254
0.7518 Intermediate Similarity NPC82712
0.7518 Intermediate Similarity NPC49272
0.7518 Intermediate Similarity NPC184109
0.7516 Intermediate Similarity NPC55744
0.7516 Intermediate Similarity NPC475536
0.7516 Intermediate Similarity NPC165234
0.75 Intermediate Similarity NPC279637
0.75 Intermediate Similarity NPC472398
0.75 Intermediate Similarity NPC95449
0.75 Intermediate Similarity NPC149401
0.7483 Intermediate Similarity NPC471862
0.7468 Intermediate Similarity NPC473641
0.7468 Intermediate Similarity NPC475300
0.7468 Intermediate Similarity NPC475505
0.7468 Intermediate Similarity NPC475437
0.7468 Intermediate Similarity NPC475464
0.7468 Intermediate Similarity NPC473797
0.7464 Intermediate Similarity NPC72915
0.746 Intermediate Similarity NPC477247
0.745 Intermediate Similarity NPC145649
0.745 Intermediate Similarity NPC233581
0.7445 Intermediate Similarity NPC226101
0.7445 Intermediate Similarity NPC237182
0.7445 Intermediate Similarity NPC225103
0.744 Intermediate Similarity NPC469636
0.7438 Intermediate Similarity NPC477356
0.7431 Intermediate Similarity NPC182869
0.7429 Intermediate Similarity NPC477281
0.7429 Intermediate Similarity NPC477280
0.7429 Intermediate Similarity NPC19719
0.7426 Intermediate Similarity NPC169913
0.7424 Intermediate Similarity NPC475804
0.7424 Intermediate Similarity NPC474222
0.7417 Intermediate Similarity NPC11410
0.741 Intermediate Similarity NPC80599
0.7397 Intermediate Similarity NPC478264
0.7394 Intermediate Similarity NPC205305
0.7394 Intermediate Similarity NPC327511
0.7391 Intermediate Similarity NPC473443
0.7391 Intermediate Similarity NPC472388
0.7391 Intermediate Similarity NPC475138
0.7383 Intermediate Similarity NPC471103
0.7383 Intermediate Similarity NPC161955
0.7379 Intermediate Similarity NPC191387
0.7379 Intermediate Similarity NPC131966
0.7379 Intermediate Similarity NPC284957
0.7372 Intermediate Similarity NPC115797
0.7372 Intermediate Similarity NPC231627
0.7372 Intermediate Similarity NPC51448
0.7357 Intermediate Similarity NPC323379
0.7357 Intermediate Similarity NPC327204
0.7353 Intermediate Similarity NPC275576
0.7351 Intermediate Similarity NPC471176
0.7347 Intermediate Similarity NPC478263
0.7343 Intermediate Similarity NPC121268
0.7343 Intermediate Similarity NPC53361
0.7343 Intermediate Similarity NPC9905
0.7338 Intermediate Similarity NPC17567
0.7338 Intermediate Similarity NPC470278
0.7333 Intermediate Similarity NPC117346
0.7333 Intermediate Similarity NPC240592
0.7328 Intermediate Similarity NPC471553
0.7328 Intermediate Similarity NPC94425
0.7328 Intermediate Similarity NPC152812
0.7325 Intermediate Similarity NPC161151
0.731 Intermediate Similarity NPC471856
0.731 Intermediate Similarity NPC475135
0.7305 Intermediate Similarity NPC48929
0.7302 Intermediate Similarity NPC40178
0.7299 Intermediate Similarity NPC473423
0.7297 Intermediate Similarity NPC132652
0.7292 Intermediate Similarity NPC162613
0.7292 Intermediate Similarity NPC87934
0.7292 Intermediate Similarity NPC79921
0.7288 Intermediate Similarity NPC202824
0.7288 Intermediate Similarity NPC477361
0.7287 Intermediate Similarity NPC153053

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC477363 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
0.8143 Intermediate Similarity NPD7236 Approved
0.7899 Intermediate Similarity NPD5738 Clinical (unspecified phase)
0.7862 Intermediate Similarity NPD7239 Suspended
0.7851 Intermediate Similarity NPD6685 Approved
0.775 Intermediate Similarity NPD6647 Phase 2
0.7737 Intermediate Similarity NPD7966 Clinical (unspecified phase)
0.7661 Intermediate Similarity NPD2067 Discontinued
0.7603 Intermediate Similarity NPD5765 Approved
0.7426 Intermediate Similarity NPD6007 Clinical (unspecified phase)
0.741 Intermediate Similarity NPD7961 Discontinued
0.7402 Intermediate Similarity NPD6912 Phase 3
0.7386 Intermediate Similarity NPD7057 Phase 3
0.7386 Intermediate Similarity NPD7058 Phase 2
0.7344 Intermediate Similarity NPD6858 Approved
0.7344 Intermediate Similarity NPD7094 Approved
0.7299 Intermediate Similarity NPD6085 Phase 2
0.7299 Intermediate Similarity NPD5740 Clinical (unspecified phase)
0.7239 Intermediate Similarity NPD7457 Clinical (unspecified phase)
0.7231 Intermediate Similarity NPD690 Clinical (unspecified phase)
0.7188 Intermediate Similarity NPD2181 Clinical (unspecified phase)
0.7099 Intermediate Similarity NPD2629 Approved
0.7083 Intermediate Similarity NPD5122 Clinical (unspecified phase)
0.7081 Intermediate Similarity NPD7799 Discontinued
0.7034 Intermediate Similarity NPD7305 Phase 1
0.7031 Intermediate Similarity NPD2182 Approved
0.7023 Intermediate Similarity NPD6010 Discontinued
0.6984 Remote Similarity NPD5909 Discontinued
0.6978 Remote Similarity NPD6362 Approved
0.6935 Remote Similarity NPD2066 Phase 3
0.6929 Remote Similarity NPD5048 Discontinued
0.6917 Remote Similarity NPD4198 Discontinued
0.6885 Remote Similarity NPD1693 Approved
0.6824 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6824 Remote Similarity NPD6005 Phase 3
0.6824 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6824 Remote Similarity NPD6002 Phase 3
0.6824 Remote Similarity NPD6004 Phase 3
0.6822 Remote Similarity NPD6899 Approved
0.6822 Remote Similarity NPD6881 Approved
0.6809 Remote Similarity NPD5647 Approved
0.6794 Remote Similarity NPD6650 Approved
0.6794 Remote Similarity NPD6649 Approved
0.6781 Remote Similarity NPD6653 Approved
0.6769 Remote Similarity NPD6831 Clinical (unspecified phase)
0.6767 Remote Similarity NPD2652 Approved
0.6767 Remote Similarity NPD2650 Approved
0.6765 Remote Similarity NPD7741 Discontinued
0.6757 Remote Similarity NPD7137 Phase 2
0.6744 Remote Similarity NPD5697 Approved
0.6721 Remote Similarity NPD1088 Approved
0.672 Remote Similarity NPD9495 Approved
0.6719 Remote Similarity NPD1237 Approved
0.6719 Remote Similarity NPD164 Approved
0.6718 Remote Similarity NPD7102 Approved
0.6718 Remote Similarity NPD6883 Approved
0.6718 Remote Similarity NPD7290 Approved
0.6713 Remote Similarity NPD7055 Discontinued
0.6712 Remote Similarity NPD6355 Discontinued
0.6694 Remote Similarity NPD3673 Approved
0.6694 Remote Similarity NPD3672 Approved
0.6694 Remote Similarity NPD5785 Approved
0.6692 Remote Similarity NPD6406 Approved
0.669 Remote Similarity NPD6663 Approved
0.6667 Remote Similarity NPD5739 Approved
0.6667 Remote Similarity NPD4141 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6675 Approved
0.6667 Remote Similarity NPD6869 Approved
0.6667 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6847 Approved
0.6667 Remote Similarity NPD6402 Approved
0.6667 Remote Similarity NPD8130 Phase 1
0.6667 Remote Similarity NPD7128 Approved
0.6667 Remote Similarity NPD6617 Approved
0.6643 Remote Similarity NPD6637 Approved
0.6643 Remote Similarity NPD5736 Approved
0.6642 Remote Similarity NPD7009 Phase 2
0.6641 Remote Similarity NPD6373 Approved
0.6641 Remote Similarity NPD6013 Approved
0.6641 Remote Similarity NPD1930 Approved
0.6641 Remote Similarity NPD1929 Approved
0.6641 Remote Similarity NPD6014 Approved
0.6641 Remote Similarity NPD6372 Approved
0.6641 Remote Similarity NPD1931 Clinical (unspecified phase)
0.6641 Remote Similarity NPD6012 Approved
0.6617 Remote Similarity NPD6882 Approved
0.6617 Remote Similarity NPD8297 Approved
0.6612 Remote Similarity NPD5347 Phase 2
0.6612 Remote Similarity NPD5346 Phase 2
0.6581 Remote Similarity NPD6273 Approved
0.6571 Remote Similarity NPD4807 Approved
0.6571 Remote Similarity NPD4806 Approved
0.6569 Remote Similarity NPD7610 Discontinued
0.6565 Remote Similarity NPD7320 Approved
0.6565 Remote Similarity NPD6011 Approved
0.6557 Remote Similarity NPD1086 Approved
0.6557 Remote Similarity NPD1089 Approved
0.6557 Remote Similarity NPD1090 Approved
0.6547 Remote Similarity NPD5306 Approved
0.6547 Remote Similarity NPD3412 Clinical (unspecified phase)
0.6547 Remote Similarity NPD5305 Approved
0.6536 Remote Similarity NPD6190 Approved
0.6528 Remote Similarity NPD3664 Approved
0.6528 Remote Similarity NPD3662 Phase 3
0.6528 Remote Similarity NPD3661 Approved
0.6528 Remote Similarity NPD3663 Approved
0.6509 Remote Similarity NPD6765 Approved
0.6509 Remote Similarity NPD6764 Approved
0.6508 Remote Similarity NPD6084 Phase 2
0.6508 Remote Similarity NPD6083 Phase 2
0.6493 Remote Similarity NPD969 Suspended
0.6493 Remote Similarity NPD1609 Clinical (unspecified phase)
0.649 Remote Similarity NPD5763 Approved
0.649 Remote Similarity NPD5762 Approved
0.649 Remote Similarity NPD7702 Clinical (unspecified phase)
0.6489 Remote Similarity NPD5701 Approved
0.6475 Remote Similarity NPD800 Approved
0.6471 Remote Similarity NPD4766 Approved
0.6471 Remote Similarity NPD4628 Phase 3
0.6466 Remote Similarity NPD6371 Approved
0.6454 Remote Similarity NPD6287 Discontinued
0.6446 Remote Similarity NPD4793 Discontinued
0.6441 Remote Similarity NPD6435 Approved
0.6438 Remote Similarity NPD7008 Discontinued
0.6434 Remote Similarity NPD1932 Approved
0.6429 Remote Similarity NPD1989 Approved
0.6416 Remote Similarity NPD8424 Clinical (unspecified phase)
0.6414 Remote Similarity NPD7084 Phase 3
0.6412 Remote Similarity NPD7685 Pre-registration
0.6412 Remote Similarity NPD8368 Discontinued
0.6406 Remote Similarity NPD7798 Approved
0.6406 Remote Similarity NPD1238 Approved
0.6403 Remote Similarity NPD9545 Approved
0.6398 Remote Similarity NPD5760 Phase 2
0.6398 Remote Similarity NPD5761 Phase 2
0.6395 Remote Similarity NPD3268 Approved
0.6395 Remote Similarity NPD8407 Phase 2
0.6391 Remote Similarity NPD2329 Discontinued
0.6383 Remote Similarity NPD4136 Approved
0.6383 Remote Similarity NPD4135 Approved
0.6383 Remote Similarity NPD4106 Approved
0.6374 Remote Similarity NPD7962 Phase 2
0.6364 Remote Similarity NPD8166 Discontinued
0.6358 Remote Similarity NPD7033 Discontinued
0.6358 Remote Similarity NPD6785 Approved
0.6358 Remote Similarity NPD6784 Approved
0.6351 Remote Similarity NPD6233 Phase 2
0.635 Remote Similarity NPD5951 Approved
0.6349 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6349 Remote Similarity NPD5695 Phase 3
0.6343 Remote Similarity NPD4234 Approved
0.6343 Remote Similarity NPD4233 Approved
0.6343 Remote Similarity NPD1317 Discontinued
0.6338 Remote Similarity NPD2610 Approved
0.6338 Remote Similarity NPD4215 Approved
0.6338 Remote Similarity NPD3131 Approved
0.6338 Remote Similarity NPD3132 Approved
0.6338 Remote Similarity NPD2611 Approved
0.6338 Remote Similarity NPD4216 Approved
0.6338 Remote Similarity NPD2609 Approved
0.6338 Remote Similarity NPD2612 Approved
0.6338 Remote Similarity NPD2608 Approved
0.6338 Remote Similarity NPD4218 Approved
0.6338 Remote Similarity NPD4217 Approved
0.6331 Remote Similarity NPD7101 Approved
0.6331 Remote Similarity NPD7100 Approved
0.6329 Remote Similarity NPD7606 Phase 3
0.6328 Remote Similarity NPD5926 Approved
0.6328 Remote Similarity NPD5696 Approved
0.6319 Remote Similarity NPD5667 Approved
0.6312 Remote Similarity NPD6599 Discontinued
0.6311 Remote Similarity NPD1282 Approved
0.6311 Remote Similarity NPD1087 Approved
0.6309 Remote Similarity NPD4140 Approved
0.6308 Remote Similarity NPD5211 Phase 2
0.6306 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6304 Remote Similarity NPD7115 Discovery
0.6301 Remote Similarity NPD5204 Approved
0.6296 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6284 Remote Similarity NPD6798 Discontinued
0.6281 Remote Similarity NPD5734 Clinical (unspecified phase)
0.6281 Remote Similarity NPD5363 Approved
0.6279 Remote Similarity NPD5285 Approved
0.6279 Remote Similarity NPD5286 Approved
0.6279 Remote Similarity NPD4696 Approved
0.6276 Remote Similarity NPD2797 Approved
0.6275 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6271 Remote Similarity NPD5368 Approved
0.6268 Remote Similarity NPD7604 Phase 2
0.6267 Remote Similarity NPD4685 Phase 3
0.6267 Remote Similarity NPD4684 Phase 3
0.6267 Remote Similarity NPD4686 Approved
0.6265 Remote Similarity NPD8127 Discontinued
0.6259 Remote Similarity NPD2613 Approved
0.6259 Remote Similarity NPD6335 Approved
0.6259 Remote Similarity NPD694 Clinical (unspecified phase)
0.6258 Remote Similarity NPD2575 Approved
0.6258 Remote Similarity NPD7488 Clinical (unspecified phase)
0.625 Remote Similarity NPD9491 Approved
0.625 Remote Similarity NPD6053 Discontinued
0.6242 Remote Similarity NPD7714 Approved

Structure

External Identifiers

PubChem CID   56680010
ChEMBL   CHEMBL1801694
ZINC  

Physicochemical Properties

Molecular Weight:  448.26
ALogP:  1.9957
MLogP:  4.21
XLogP:  8.032
# 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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Structure MOL file  
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Biological Activities  
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