Natural Product: NPC477358

Natural Product ID:  NPC477358
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C34H38O6
Standard InCHIKey:  KIJAQQYGTDMBNC-WZJYHAIHSA-N
Standard InCHI:  InChI=1S/C34H38O6/c1-20-18-25-24(32(25,3)4)16-17-33(5)29(39-33)26-27(38-30(36)22-12-8-6-9-13-22)21(2)19-34(26,28(20)35)40-31(37)23-14-10-7-11-15-23/h6-15,18,21,24-27,29H,16-17,19H2,1-5H3/b20-18+/t21-,24-,25-,26+,27-,29+,33+,34+/m0/s1
Canonical SMILES:  O=C(c1ccccc1)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)OC(=O)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 NPC477358 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
0.9697 High Similarity NPC473654
0.9688 High Similarity NPC477360
0.9545 High Similarity NPC276652
0.9531 High Similarity NPC42234
0.9389 High Similarity NPC477359
0.9343 High Similarity NPC477095
0.9318 High Similarity NPC270364
0.9265 High Similarity NPC82467
0.9242 High Similarity NPC477368
0.9185 High Similarity NPC475660
0.9173 High Similarity NPC232888
0.9173 High Similarity NPC477367
0.9167 High Similarity NPC477364
0.9124 High Similarity NPC477096
0.9124 High Similarity NPC477094
0.9062 High Similarity NPC8990
0.903 High Similarity NPC475262
0.903 High Similarity NPC290833
0.903 High Similarity NPC265459
0.8992 High Similarity NPC477369
0.8963 High Similarity NPC285221
0.8963 High Similarity NPC194769
0.8955 High Similarity NPC472250
0.8951 High Similarity NPC477100
0.8951 High Similarity NPC477098
0.8939 High Similarity NPC272946
0.8939 High Similarity NPC475452
0.8939 High Similarity NPC475671
0.8905 High Similarity NPC251294
0.8897 High Similarity NPC86772
0.8873 High Similarity NPC25484
0.8873 High Similarity NPC232583
0.8864 High Similarity NPC37968
0.8855 High Similarity NPC477357
0.8832 High Similarity NPC325805
0.8832 High Similarity NPC272523
0.875 High Similarity NPC472247
0.8741 High Similarity NPC477099
0.8741 High Similarity NPC125033
0.8741 High Similarity NPC477097
0.8741 High Similarity NPC477101
0.8732 High Similarity NPC205389
0.8714 High Similarity NPC153214
0.8705 High Similarity NPC473497
0.8676 High Similarity NPC153617
0.8657 High Similarity NPC3450
0.8657 High Similarity NPC122504
0.8647 High Similarity NPC477370
0.8636 High Similarity NPC477363
0.8636 High Similarity NPC477366
0.8626 High Similarity NPC477362
0.8613 High Similarity NPC79699
0.8582 High Similarity NPC45307
0.8571 High Similarity NPC474303
0.8571 High Similarity NPC475413
0.8571 High Similarity NPC477365
0.844 Intermediate Similarity NPC242355
0.844 Intermediate Similarity NPC187566
0.8403 Intermediate Similarity NPC170668
0.8382 Intermediate Similarity NPC475508
0.8357 Intermediate Similarity NPC205305
0.8357 Intermediate Similarity NPC327511
0.8321 Intermediate Similarity NPC473243
0.8298 Intermediate Similarity NPC473301
0.8298 Intermediate Similarity NPC121268
0.8298 Intermediate Similarity NPC53361
0.8273 Intermediate Similarity NPC324898
0.8273 Intermediate Similarity NPC134937
0.8273 Intermediate Similarity NPC298547
0.8261 Intermediate Similarity NPC233860
0.8222 Intermediate Similarity NPC476599
0.8214 Intermediate Similarity NPC279637
0.8214 Intermediate Similarity NPC149401
0.8201 Intermediate Similarity NPC472248
0.8194 Intermediate Similarity NPC131966
0.8194 Intermediate Similarity NPC191387
0.8188 Intermediate Similarity NPC470278
0.8143 Intermediate Similarity NPC28836
0.8129 Intermediate Similarity NPC239358
0.8129 Intermediate Similarity NPC233692
0.8125 Intermediate Similarity NPC183540
0.8125 Intermediate Similarity NPC475135
0.8085 Intermediate Similarity NPC200154
0.8082 Intermediate Similarity NPC25043
0.8082 Intermediate Similarity NPC134131
0.8079 Intermediate Similarity NPC70344
0.8052 Intermediate Similarity NPC55744
0.8028 Intermediate Similarity NPC202729
0.8014 Intermediate Similarity NPC311492
0.8014 Intermediate Similarity NPC329913
0.7972 Intermediate Similarity NPC27721
0.7959 Intermediate Similarity NPC471162
0.7943 Intermediate Similarity NPC472656
0.7905 Intermediate Similarity NPC475552
0.7902 Intermediate Similarity NPC217673
0.7902 Intermediate Similarity NPC52523
0.7899 Intermediate Similarity NPC472706
0.7887 Intermediate Similarity NPC203486
0.7887 Intermediate Similarity NPC126516
0.7881 Intermediate Similarity NPC22571
0.7881 Intermediate Similarity NPC469647
0.7881 Intermediate Similarity NPC283875
0.7881 Intermediate Similarity NPC138641
0.7881 Intermediate Similarity NPC469648
0.7872 Intermediate Similarity NPC238370
0.7867 Intermediate Similarity NPC254558
0.7852 Intermediate Similarity NPC50872
0.7842 Intermediate Similarity NPC472707
0.7838 Intermediate Similarity NPC471100
0.7838 Intermediate Similarity NPC471107
0.7823 Intermediate Similarity NPC95449
0.7812 Intermediate Similarity NPC469636
0.781 Intermediate Similarity NPC472704
0.78 Intermediate Similarity NPC473403
0.7786 Intermediate Similarity NPC307651
0.7778 Intermediate Similarity NPC469456
0.777 Intermediate Similarity NPC470231
0.7763 Intermediate Similarity NPC233581
0.7763 Intermediate Similarity NPC145649
0.7737 Intermediate Similarity NPC472703
0.773 Intermediate Similarity NPC471832
0.773 Intermediate Similarity NPC147561
0.7727 Intermediate Similarity NPC11410
0.771 Intermediate Similarity NPC128368
0.7704 Intermediate Similarity NPC472708
0.7697 Intermediate Similarity NPC472398
0.7697 Intermediate Similarity NPC51602
0.7687 Intermediate Similarity NPC266374
0.7676 Intermediate Similarity NPC72915
0.7662 Intermediate Similarity NPC251139
0.7662 Intermediate Similarity NPC282239
0.7643 Intermediate Similarity NPC169913
0.7639 Intermediate Similarity NPC471911
0.7639 Intermediate Similarity NPC4242
0.7635 Intermediate Similarity NPC182869
0.7634 Intermediate Similarity NPC270699
0.7634 Intermediate Similarity NPC82899
0.7626 Intermediate Similarity NPC295664
0.7622 Intermediate Similarity NPC167340
0.7622 Intermediate Similarity NPC472394
0.7619 Intermediate Similarity NPC162613
0.7619 Intermediate Similarity NPC87934
0.7613 Intermediate Similarity NPC217091
0.7613 Intermediate Similarity NPC106895
0.7606 Intermediate Similarity NPC82712
0.7606 Intermediate Similarity NPC473247
0.7603 Intermediate Similarity NPC475373
0.7603 Intermediate Similarity NPC184109
0.76 Intermediate Similarity NPC127857
0.76 Intermediate Similarity NPC478264
0.7589 Intermediate Similarity NPC115797
0.7589 Intermediate Similarity NPC51448
0.7584 Intermediate Similarity NPC477894
0.7582 Intermediate Similarity NPC471103
0.7578 Intermediate Similarity NPC40138
0.7576 Intermediate Similarity NPC161611
0.7571 Intermediate Similarity NPC275576
0.7568 Intermediate Similarity NPC471862
0.7566 Intermediate Similarity NPC473215
0.7564 Intermediate Similarity NPC472393
0.7562 Intermediate Similarity NPC477491
0.7557 Intermediate Similarity NPC305912
0.7557 Intermediate Similarity NPC1082
0.7551 Intermediate Similarity NPC210591
0.7551 Intermediate Similarity NPC9905
0.7551 Intermediate Similarity NPC214550
0.7551 Intermediate Similarity NPC170718
0.7551 Intermediate Similarity NPC475652
0.755 Intermediate Similarity NPC478263
0.7548 Intermediate Similarity NPC21410
0.7548 Intermediate Similarity NPC473611
0.7548 Intermediate Similarity NPC473670
0.7537 Intermediate Similarity NPC149691
0.7518 Intermediate Similarity NPC48992
0.7518 Intermediate Similarity NPC473220
0.7518 Intermediate Similarity NPC470753
0.7517 Intermediate Similarity NPC472546
0.7517 Intermediate Similarity NPC51181
0.7517 Intermediate Similarity NPC474608
0.7517 Intermediate Similarity NPC192658
0.7517 Intermediate Similarity NPC471856
0.7517 Intermediate Similarity NPC48929
0.7516 Intermediate Similarity NPC112216
0.7516 Intermediate Similarity NPC470245
0.7516 Intermediate Similarity NPC473214
0.7516 Intermediate Similarity NPC161151
0.7516 Intermediate Similarity NPC471102
0.7516 Intermediate Similarity NPC7095
0.7516 Intermediate Similarity NPC159692
0.75 Intermediate Similarity NPC184747
0.75 Intermediate Similarity NPC475569
0.75 Intermediate Similarity NPC200592
0.75 Intermediate Similarity NPC473112
0.75 Intermediate Similarity NPC4341
0.75 Intermediate Similarity NPC473081
0.75 Intermediate Similarity NPC473109
0.75 Intermediate Similarity NPC475400
0.75 Intermediate Similarity NPC471863
0.75 Intermediate Similarity NPC473758
0.75 Intermediate Similarity NPC473613

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC477358 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
0.8333 Intermediate Similarity NPD7236 Approved
0.8054 Intermediate Similarity NPD7239 Suspended
0.758 Intermediate Similarity NPD7057 Phase 3
0.758 Intermediate Similarity NPD7058 Phase 2
0.7557 Intermediate Similarity NPD2181 Clinical (unspecified phase)
0.7464 Intermediate Similarity NPD7457 Clinical (unspecified phase)
0.7405 Intermediate Similarity NPD2182 Approved
0.7394 Intermediate Similarity NPD6007 Clinical (unspecified phase)
0.7379 Intermediate Similarity NPD7961 Discontinued
0.7378 Intermediate Similarity NPD7799 Discontinued
0.7286 Intermediate Similarity NPD6287 Discontinued
0.7266 Intermediate Similarity NPD3412 Clinical (unspecified phase)
0.7218 Intermediate Similarity NPD2067 Discontinued
0.7188 Intermediate Similarity NPD1238 Approved
0.7185 Intermediate Similarity NPD6858 Approved
0.7185 Intermediate Similarity NPD7094 Approved
0.7123 Intermediate Similarity NPD5952 Clinical (unspecified phase)
0.7099 Intermediate Similarity NPD164 Approved
0.7095 Intermediate Similarity NPD7966 Clinical (unspecified phase)
0.708 Intermediate Similarity NPD690 Clinical (unspecified phase)
0.6985 Remote Similarity NPD1609 Clinical (unspecified phase)
0.6957 Remote Similarity NPD2629 Approved
0.6928 Remote Similarity NPD7702 Clinical (unspecified phase)
0.6918 Remote Similarity NPD5740 Clinical (unspecified phase)
0.6918 Remote Similarity NPD6085 Phase 2
0.6906 Remote Similarity NPD4198 Discontinued
0.6901 Remote Similarity NPD7685 Pre-registration
0.6899 Remote Similarity NPD6273 Approved
0.6897 Remote Similarity NPD1876 Approved
0.6892 Remote Similarity NPD7008 Discontinued
0.6875 Remote Similarity NPD3972 Approved
0.6866 Remote Similarity NPD6685 Approved
0.6859 Remote Similarity NPD3887 Approved
0.6842 Remote Similarity NPD1237 Approved
0.6821 Remote Similarity NPD6355 Discontinued
0.68 Remote Similarity NPD8424 Clinical (unspecified phase)
0.68 Remote Similarity NPD7713 Phase 3
0.6797 Remote Similarity NPD7305 Phase 1
0.6795 Remote Similarity NPD4628 Phase 3
0.6781 Remote Similarity NPD5667 Approved
0.6767 Remote Similarity NPD1931 Clinical (unspecified phase)
0.6767 Remote Similarity NPD1929 Approved
0.6767 Remote Similarity NPD5738 Clinical (unspecified phase)
0.6767 Remote Similarity NPD1930 Approved
0.6765 Remote Similarity NPD6831 Clinical (unspecified phase)
0.6761 Remote Similarity NPD7741 Discontinued
0.6728 Remote Similarity NPD6599 Discontinued
0.6714 Remote Similarity NPD5951 Approved
0.6713 Remote Similarity NPD5585 Approved
0.6711 Remote Similarity NPD6832 Phase 2
0.671 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6705 Remote Similarity NPD6764 Approved
0.6705 Remote Similarity NPD6765 Approved
0.6705 Remote Similarity NPD8368 Discontinued
0.6686 Remote Similarity NPD8407 Phase 2
0.6667 Remote Similarity NPD1202 Approved
0.6642 Remote Similarity NPD6647 Phase 2
0.6642 Remote Similarity NPD5765 Approved
0.6623 Remote Similarity NPD3764 Approved
0.661 Remote Similarity NPD8434 Phase 2
0.6606 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6606 Remote Similarity NPD5761 Phase 2
0.6606 Remote Similarity NPD5760 Phase 2
0.6603 Remote Similarity NPD2355 Clinical (unspecified phase)
0.6603 Remote Similarity NPD2353 Approved
0.66 Remote Similarity NPD7055 Discontinued
0.6593 Remote Similarity NPD5909 Discontinued
0.6581 Remote Similarity NPD2799 Discontinued
0.6579 Remote Similarity NPD6663 Approved
0.6579 Remote Similarity NPD8032 Phase 2
0.6565 Remote Similarity NPD1989 Approved
0.6564 Remote Similarity NPD7458 Discontinued
0.6562 Remote Similarity NPD6799 Approved
0.6556 Remote Similarity NPD6039 Approved
0.6554 Remote Similarity NPD6784 Approved
0.6554 Remote Similarity NPD6785 Approved
0.6541 Remote Similarity NPD2066 Phase 3
0.6541 Remote Similarity NPD7798 Approved
0.6536 Remote Similarity NPD8435 Approved
0.6533 Remote Similarity NPD5736 Approved
0.6528 Remote Similarity NPD7009 Phase 2
0.6516 Remote Similarity NPD2569 Approved
0.6516 Remote Similarity NPD2567 Approved
0.6513 Remote Similarity NPD2313 Discontinued
0.651 Remote Similarity NPD6362 Approved
0.651 Remote Similarity NPD3266 Approved
0.651 Remote Similarity NPD3267 Approved
0.65 Remote Similarity NPD6912 Phase 3
0.6497 Remote Similarity NPD1471 Phase 3
0.6497 Remote Similarity NPD6005 Phase 3
0.6497 Remote Similarity NPD6002 Phase 3
0.6497 Remote Similarity NPD6004 Phase 3
0.6497 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6497 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6488 Remote Similarity NPD7075 Discontinued
0.6486 Remote Similarity NPD4359 Approved
0.6467 Remote Similarity NPD2788 Approved
0.6467 Remote Similarity NPD2798 Approved
0.6463 Remote Similarity NPD4806 Approved
0.6463 Remote Similarity NPD4807 Approved
0.6461 Remote Similarity NPD8055 Clinical (unspecified phase)
0.6458 Remote Similarity NPD7610 Discontinued
0.6452 Remote Similarity NPD6653 Approved
0.645 Remote Similarity NPD5537 Clinical (unspecified phase)
0.6444 Remote Similarity NPD1932 Approved
0.6444 Remote Similarity NPD8360 Approved
0.6444 Remote Similarity NPD8361 Approved
0.6443 Remote Similarity NPD2198 Approved
0.6443 Remote Similarity NPD2199 Approved
0.6438 Remote Similarity NPD6190 Approved
0.6438 Remote Similarity NPD5306 Approved
0.6438 Remote Similarity NPD7163 Clinical (unspecified phase)
0.6438 Remote Similarity NPD17 Approved
0.6438 Remote Similarity NPD5305 Approved
0.6438 Remote Similarity NPD2354 Approved
0.6433 Remote Similarity NPD7137 Phase 2
0.6433 Remote Similarity NPD2796 Approved
0.6429 Remote Similarity NPD4307 Phase 2
0.642 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6419 Remote Similarity NPD6637 Approved
0.6415 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6414 Remote Similarity NPD9545 Approved
0.6407 Remote Similarity NPD7819 Suspended
0.6405 Remote Similarity NPD3268 Approved
0.6403 Remote Similarity NPD2329 Discontinued
0.6395 Remote Similarity NPD4136 Approved
0.6395 Remote Similarity NPD4106 Approved
0.6395 Remote Similarity NPD4135 Approved
0.6392 Remote Similarity NPD5763 Approved
0.6392 Remote Similarity NPD2346 Discontinued
0.6392 Remote Similarity NPD5762 Approved
0.6387 Remote Similarity NPD1899 Clinical (unspecified phase)
0.6375 Remote Similarity NPD8166 Discontinued
0.6364 Remote Similarity NPD7714 Approved
0.6364 Remote Similarity NPD6233 Phase 2
0.6364 Remote Similarity NPD4870 Approved
0.6364 Remote Similarity NPD4766 Approved
0.6364 Remote Similarity NPD7715 Approved
0.6358 Remote Similarity NPD5647 Approved
0.6357 Remote Similarity NPD5239 Approved
0.6357 Remote Similarity NPD5235 Approved
0.6357 Remote Similarity NPD5236 Approved
0.6357 Remote Similarity NPD5240 Approved
0.6357 Remote Similarity NPD5237 Approved
0.6351 Remote Similarity NPD1547 Clinical (unspecified phase)
0.6347 Remote Similarity NPD6801 Discontinued
0.6346 Remote Similarity NPD3528 Clinical (unspecified phase)
0.6343 Remote Similarity NPD8470 Clinical (unspecified phase)
0.634 Remote Similarity NPD7095 Approved
0.6333 Remote Similarity NPD8150 Discontinued
0.6329 Remote Similarity NPD2935 Discontinued
0.6324 Remote Similarity NPD8485 Approved
0.6323 Remote Similarity NPD2979 Phase 3
0.6316 Remote Similarity NPD5204 Approved
0.6312 Remote Similarity NPD4141 Clinical (unspecified phase)
0.6309 Remote Similarity NPD1608 Approved
0.6304 Remote Similarity NPD5048 Discontinued
0.6299 Remote Similarity NPD6798 Discontinued
0.6291 Remote Similarity NPD2797 Approved
0.6289 Remote Similarity NPD7611 Approved
0.6288 Remote Similarity NPD5122 Clinical (unspecified phase)
0.6279 Remote Similarity NPD8127 Discontinued
0.6273 Remote Similarity NPD7003 Approved
0.6273 Remote Similarity NPD7488 Clinical (unspecified phase)
0.6272 Remote Similarity NPD3817 Phase 2
0.6272 Remote Similarity NPD5402 Approved
0.6266 Remote Similarity NPD7033 Discontinued
0.6266 Remote Similarity NPD3748 Approved
0.6266 Remote Similarity NPD4308 Phase 3
0.6265 Remote Similarity NPD6591 Clinical (unspecified phase)
0.6264 Remote Similarity NPD7997 Clinical (unspecified phase)
0.6259 Remote Similarity NPD4102 Approved
0.6259 Remote Similarity NPD4105 Approved
0.625 Remote Similarity NPD9259 Approved
0.625 Remote Similarity NPD4534 Discontinued
0.625 Remote Similarity NPD5958 Discontinued
0.625 Remote Similarity NPD9257 Approved
0.6243 Remote Similarity NPD6808 Phase 2
0.6242 Remote Similarity NPD920 Approved
0.6242 Remote Similarity NPD7606 Phase 3
0.6242 Remote Similarity NPD5403 Approved
0.6242 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6241 Remote Similarity NPD1693 Approved
0.6233 Remote Similarity NPD6065 Approved
0.6233 Remote Similarity NPD2347 Approved
0.6226 Remote Similarity NPD2438 Suspended
0.6223 Remote Similarity NPD8486 Clinical (unspecified phase)
0.6222 Remote Similarity NPD5926 Approved
0.6222 Remote Similarity NPD9495 Approved
0.6221 Remote Similarity NPD5494 Approved
0.622 Remote Similarity NPD5401 Approved
0.622 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6218 Remote Similarity NPD4140 Approved
0.6218 Remote Similarity NPD3373 Approved
0.6214 Remote Similarity NPD6881 Approved
0.6214 Remote Similarity NPD6899 Approved
0.6212 Remote Similarity NPD1508 Approved
0.6209 Remote Similarity NPD3661 Approved
0.6209 Remote Similarity NPD3662 Phase 3
0.6209 Remote Similarity NPD3664 Approved

Structure

External Identifiers

PubChem CID   56673372
ChEMBL   CHEMBL1801689
ZINC  

Physicochemical Properties

Molecular Weight:  542.27
ALogP:  1.2329
MLogP:  4.54
XLogP:  9.48
# Rotatable Bonds:  11
Polar Surface Area:  82.2
# H-Bond Aceptor:  6
# H-Bond Donor:  0
# Rings:  6
# Heavy Atoms:  40

Download Data

Data Type Select
General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs