Natural Product: NPC477359

Natural Product ID:  NPC477359
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C27H34O5
Standard InCHIKey:  DUFROUYQIBXFJS-VHXUANMBSA-N
Standard InCHI:  InChI=1S/C27H34O5/c1-15-13-19-18(25(19,3)4)11-12-26(5)23(32-26)20-21(16(2)14-27(20,30)22(15)28)31-24(29)17-9-7-6-8-10-17/h6-10,13,16,18-21,23,30H,11-12,14H2,1-5H3/b15-13+/t16-,18-,19-,20+,21-,23+,26+,27+/m0/s1
Canonical SMILES:  C[C@H]1C[C@]2([C@H]([C@H]1OC(=O)c1ccccc1)[C@H]1O[C@]1(C)CC[C@H]1[C@H](/C=C(/C2=O)C)C1(C)C)O
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 = 48 % 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 NPC477359 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
0.9688 High Similarity NPC477368
0.9685 High Similarity NPC477360
0.9612 High Similarity NPC232888
0.9612 High Similarity NPC477367
0.9609 High Similarity NPC477364
0.9528 High Similarity NPC42234
0.9528 High Similarity NPC272946
0.9444 High Similarity NPC477357
0.9389 High Similarity NPC477358
0.9297 High Similarity NPC37968
0.9213 High Similarity NPC477366
0.9206 High Similarity NPC477362
0.9167 High Similarity NPC270364
0.9141 High Similarity NPC477365
0.9111 High Similarity NPC473654
0.907 High Similarity NPC477370
0.9062 High Similarity NPC477363
0.9023 High Similarity NPC472247
0.9 High Similarity NPC477097
0.9 High Similarity NPC477101
0.9 High Similarity NPC477099
0.8978 High Similarity NPC477094
0.8978 High Similarity NPC477096
0.8971 High Similarity NPC473497
0.8963 High Similarity NPC276652
0.8906 High Similarity NPC8990
0.8881 High Similarity NPC290833
0.8881 High Similarity NPC265459
0.8881 High Similarity NPC475262
0.8841 High Similarity NPC153214
0.8841 High Similarity NPC45307
0.8837 High Similarity NPC477369
0.8832 High Similarity NPC475413
0.8832 High Similarity NPC474303
0.8815 High Similarity NPC194769
0.8815 High Similarity NPC285221
0.8811 High Similarity NPC477098
0.8811 High Similarity NPC477100
0.8806 High Similarity NPC472250
0.8788 High Similarity NPC475671
0.8788 High Similarity NPC475452
0.8786 High Similarity NPC477095
0.875 High Similarity NPC86772
0.8732 High Similarity NPC125033
0.8732 High Similarity NPC232583
0.8732 High Similarity NPC25484
0.8705 High Similarity NPC82467
0.8686 High Similarity NPC325805
0.8686 High Similarity NPC272523
0.8657 High Similarity NPC233860
0.8657 High Similarity NPC233692
0.8657 High Similarity NPC239358
0.8652 High Similarity NPC170668
0.8623 High Similarity NPC251294
0.8623 High Similarity NPC475660
0.8593 High Similarity NPC472248
0.8592 High Similarity NPC205389
0.8529 High Similarity NPC28836
0.8529 High Similarity NPC311492
0.8507 High Similarity NPC3450
0.8507 High Similarity NPC122504
0.8467 Intermediate Similarity NPC200154
0.8467 Intermediate Similarity NPC79699
0.8429 Intermediate Similarity NPC242355
0.8421 Intermediate Similarity NPC472706
0.8406 Intermediate Similarity NPC52523
0.8406 Intermediate Similarity NPC202729
0.8406 Intermediate Similarity NPC217673
0.837 Intermediate Similarity NPC475508
0.8369 Intermediate Similarity NPC183540
0.8358 Intermediate Similarity NPC472707
0.8345 Intermediate Similarity NPC27721
0.8333 Intermediate Similarity NPC472704
0.8298 Intermediate Similarity NPC187566
0.8286 Intermediate Similarity NPC473301
0.8261 Intermediate Similarity NPC153617
0.8261 Intermediate Similarity NPC329913
0.8258 Intermediate Similarity NPC472703
0.8231 Intermediate Similarity NPC472708
0.8129 Intermediate Similarity NPC324898
0.8129 Intermediate Similarity NPC134937
0.8129 Intermediate Similarity NPC298547
0.8129 Intermediate Similarity NPC126516
0.8074 Intermediate Similarity NPC476599
0.8071 Intermediate Similarity NPC149401
0.8071 Intermediate Similarity NPC279637
0.8069 Intermediate Similarity NPC134131
0.8069 Intermediate Similarity NPC25043
0.8067 Intermediate Similarity NPC70344
0.803 Intermediate Similarity NPC473243
0.8028 Intermediate Similarity NPC170718
0.8 Intermediate Similarity NPC469456
0.8 Intermediate Similarity NPC203486
0.7987 Intermediate Similarity NPC469648
0.7987 Intermediate Similarity NPC283875
0.7987 Intermediate Similarity NPC138641
0.7987 Intermediate Similarity NPC469647
0.7987 Intermediate Similarity NPC22571
0.7986 Intermediate Similarity NPC51181
0.7971 Intermediate Similarity NPC82712
0.7958 Intermediate Similarity NPC205305
0.7958 Intermediate Similarity NPC327511
0.7945 Intermediate Similarity NPC471162
0.7937 Intermediate Similarity NPC469636
0.7931 Intermediate Similarity NPC95449
0.7931 Intermediate Similarity NPC191387
0.7931 Intermediate Similarity NPC131966
0.7922 Intermediate Similarity NPC55744
0.7919 Intermediate Similarity NPC472398
0.7914 Intermediate Similarity NPC72915
0.7914 Intermediate Similarity NPC470278
0.7907 Intermediate Similarity NPC307651
0.7902 Intermediate Similarity NPC53361
0.7902 Intermediate Similarity NPC121268
0.7883 Intermediate Similarity NPC169913
0.7868 Intermediate Similarity NPC246166
0.7867 Intermediate Similarity NPC145649
0.7867 Intermediate Similarity NPC233581
0.7862 Intermediate Similarity NPC475135
0.7836 Intermediate Similarity NPC50872
0.7829 Intermediate Similarity NPC11410
0.7826 Intermediate Similarity NPC51448
0.7826 Intermediate Similarity NPC115797
0.7823 Intermediate Similarity NPC127857
0.7823 Intermediate Similarity NPC478264
0.781 Intermediate Similarity NPC275576
0.7808 Intermediate Similarity NPC477894
0.78 Intermediate Similarity NPC161955
0.7778 Intermediate Similarity NPC9905
0.777 Intermediate Similarity NPC478263
0.7769 Intermediate Similarity NPC153053
0.7763 Intermediate Similarity NPC251139
0.7752 Intermediate Similarity NPC82899
0.7752 Intermediate Similarity NPC270699
0.7746 Intermediate Similarity NPC48929
0.774 Intermediate Similarity NPC182869
0.7737 Intermediate Similarity NPC295664
0.773 Intermediate Similarity NPC238370
0.773 Intermediate Similarity NPC125153
0.7727 Intermediate Similarity NPC159692
0.7724 Intermediate Similarity NPC87934
0.7724 Intermediate Similarity NPC162613
0.7722 Intermediate Similarity NPC161151
0.7718 Intermediate Similarity NPC132652
0.7714 Intermediate Similarity NPC471832
0.7692 Intermediate Similarity NPC477893
0.7692 Intermediate Similarity NPC477896
0.7687 Intermediate Similarity NPC204784
0.7682 Intermediate Similarity NPC51602
0.7682 Intermediate Similarity NPC471103
0.7676 Intermediate Similarity NPC472656
0.7674 Intermediate Similarity NPC1082
0.7674 Intermediate Similarity NPC305912
0.7671 Intermediate Similarity NPC266374
0.7671 Intermediate Similarity NPC471862
0.7667 Intermediate Similarity NPC60509
0.7667 Intermediate Similarity NPC81698
0.7667 Intermediate Similarity NPC250046
0.7658 Intermediate Similarity NPC477491
0.7647 Intermediate Similarity NPC132599
0.7647 Intermediate Similarity NPC473611
0.7647 Intermediate Similarity NPC469730
0.7647 Intermediate Similarity NPC473632
0.7626 Intermediate Similarity NPC473220
0.7626 Intermediate Similarity NPC470753
0.7619 Intermediate Similarity NPC192658
0.7616 Intermediate Similarity NPC112216
0.7616 Intermediate Similarity NPC161239
0.7616 Intermediate Similarity NPC198455
0.7616 Intermediate Similarity NPC165260
0.7616 Intermediate Similarity NPC7095
0.7615 Intermediate Similarity NPC321852
0.7597 Intermediate Similarity NPC93084
0.7597 Intermediate Similarity NPC251854
0.7597 Intermediate Similarity NPC214067
0.7597 Intermediate Similarity NPC196246
0.7589 Intermediate Similarity NPC147561
0.7584 Intermediate Similarity NPC471100
0.7584 Intermediate Similarity NPC471107
0.7566 Intermediate Similarity NPC101043
0.7566 Intermediate Similarity NPC306799
0.7562 Intermediate Similarity NPC40138
0.7557 Intermediate Similarity NPC128368
0.7557 Intermediate Similarity NPC161611
0.7554 Intermediate Similarity NPC470765
0.7547 Intermediate Similarity NPC324769
0.7547 Intermediate Similarity NPC325732
0.754 Intermediate Similarity NPC301943
0.754 Intermediate Similarity NPC474365
0.7538 Intermediate Similarity NPC260818
0.7536 Intermediate Similarity NPC471466
0.7533 Intermediate Similarity NPC475552
0.7533 Intermediate Similarity NPC312393
0.7532 Intermediate Similarity NPC282239
0.7532 Intermediate Similarity NPC473670
0.7532 Intermediate Similarity NPC21410
0.7519 Intermediate Similarity NPC10251
0.7519 Intermediate Similarity NPC149691
0.7519 Intermediate Similarity NPC17417
0.7519 Intermediate Similarity NPC83628

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC477359 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
0.8451 Intermediate Similarity NPD7236 Approved
0.8163 Intermediate Similarity NPD7239 Suspended
0.7677 Intermediate Similarity NPD7057 Phase 3
0.7677 Intermediate Similarity NPD7058 Phase 2
0.7674 Intermediate Similarity NPD2181 Clinical (unspecified phase)
0.7626 Intermediate Similarity NPD6007 Clinical (unspecified phase)
0.7519 Intermediate Similarity NPD2182 Approved
0.7376 Intermediate Similarity NPD5740 Clinical (unspecified phase)
0.7376 Intermediate Similarity NPD6085 Phase 2
0.7364 Intermediate Similarity NPD6685 Approved
0.7362 Intermediate Similarity NPD7799 Discontinued
0.7361 Intermediate Similarity NPD7961 Discontinued
0.7319 Intermediate Similarity NPD7457 Clinical (unspecified phase)
0.7313 Intermediate Similarity NPD690 Clinical (unspecified phase)
0.7266 Intermediate Similarity NPD5738 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD5952 Clinical (unspecified phase)
0.7209 Intermediate Similarity NPD164 Approved
0.7197 Intermediate Similarity NPD2067 Discontinued
0.7192 Intermediate Similarity NPD7966 Clinical (unspecified phase)
0.7185 Intermediate Similarity NPD2629 Approved
0.7132 Intermediate Similarity NPD6647 Phase 2
0.7132 Intermediate Similarity NPD5765 Approved
0.7122 Intermediate Similarity NPD3412 Clinical (unspecified phase)
0.7121 Intermediate Similarity NPD6831 Clinical (unspecified phase)
0.7037 Intermediate Similarity NPD7094 Approved
0.7037 Intermediate Similarity NPD6858 Approved
0.7021 Intermediate Similarity NPD6287 Discontinued
0.7007 Intermediate Similarity NPD4198 Discontinued
0.7 Intermediate Similarity NPD7305 Phase 1
0.6987 Remote Similarity NPD6273 Approved
0.6986 Remote Similarity NPD7008 Discontinued
0.6963 Remote Similarity NPD6912 Phase 3
0.6963 Remote Similarity NPD1609 Clinical (unspecified phase)
0.6947 Remote Similarity NPD1237 Approved
0.6944 Remote Similarity NPD6362 Approved
0.6908 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6908 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6908 Remote Similarity NPD6002 Phase 3
0.6908 Remote Similarity NPD6004 Phase 3
0.6908 Remote Similarity NPD6005 Phase 3
0.6908 Remote Similarity NPD7702 Clinical (unspecified phase)
0.6899 Remote Similarity NPD1238 Approved
0.6883 Remote Similarity NPD4628 Phase 3
0.6882 Remote Similarity NPD7685 Pre-registration
0.687 Remote Similarity NPD1930 Approved
0.687 Remote Similarity NPD1929 Approved
0.687 Remote Similarity NPD1931 Clinical (unspecified phase)
0.6867 Remote Similarity NPD6653 Approved
0.6857 Remote Similarity NPD7741 Discontinued
0.6857 Remote Similarity NPD9545 Approved
0.6812 Remote Similarity NPD5951 Approved
0.68 Remote Similarity NPD6355 Discontinued
0.6797 Remote Similarity NPD2343 Clinical (unspecified phase)
0.679 Remote Similarity NPD5760 Phase 2
0.679 Remote Similarity NPD5761 Phase 2
0.6784 Remote Similarity NPD6765 Approved
0.6784 Remote Similarity NPD6764 Approved
0.6781 Remote Similarity NPD5647 Approved
0.6779 Remote Similarity NPD6663 Approved
0.6769 Remote Similarity NPD2066 Phase 3
0.6738 Remote Similarity NPD7009 Phase 2
0.6735 Remote Similarity NPD5736 Approved
0.6732 Remote Similarity NPD7137 Phase 2
0.6719 Remote Similarity NPD1693 Approved
0.6711 Remote Similarity NPD3764 Approved
0.6692 Remote Similarity NPD9495 Approved
0.6686 Remote Similarity NPD8424 Clinical (unspecified phase)
0.6686 Remote Similarity NPD8368 Discontinued
0.6667 Remote Similarity NPD4807 Approved
0.6667 Remote Similarity NPD4806 Approved
0.6667 Remote Similarity NPD8407 Phase 2
0.6667 Remote Similarity NPD7610 Discontinued
0.6667 Remote Similarity NPD2799 Discontinued
0.6646 Remote Similarity NPD7458 Discontinued
0.6644 Remote Similarity NPD1876 Approved
0.6643 Remote Similarity NPD5306 Approved
0.6643 Remote Similarity NPD5305 Approved
0.6642 Remote Similarity NPD4141 Clinical (unspecified phase)
0.6641 Remote Similarity NPD5122 Clinical (unspecified phase)
0.6629 Remote Similarity NPD6785 Approved
0.6629 Remote Similarity NPD6784 Approved
0.6622 Remote Similarity NPD3664 Approved
0.6622 Remote Similarity NPD3663 Approved
0.6622 Remote Similarity NPD3661 Approved
0.6622 Remote Similarity NPD3662 Phase 3
0.6621 Remote Similarity NPD3972 Approved
0.6619 Remote Similarity NPD2652 Approved
0.6619 Remote Similarity NPD2650 Approved
0.6605 Remote Similarity NPD6599 Discontinued
0.66 Remote Similarity NPD2313 Discontinued
0.6596 Remote Similarity NPD9493 Approved
0.6594 Remote Similarity NPD969 Suspended
0.6591 Remote Similarity NPD8434 Phase 2
0.6585 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6579 Remote Similarity NPD230 Phase 1
0.6567 Remote Similarity NPD5909 Discontinued
0.6562 Remote Similarity NPD1088 Approved
0.6541 Remote Similarity NPD1932 Approved
0.6535 Remote Similarity NPD9256 Approved
0.6535 Remote Similarity NPD9258 Approved
0.6528 Remote Similarity NPD7163 Clinical (unspecified phase)
0.6519 Remote Similarity NPD3887 Approved
0.65 Remote Similarity NPD7004 Clinical (unspecified phase)
0.65 Remote Similarity NPD6010 Discontinued
0.6497 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6496 Remote Similarity NPD2329 Discontinued
0.6494 Remote Similarity NPD2569 Approved
0.6494 Remote Similarity NPD2567 Approved
0.649 Remote Similarity NPD3268 Approved
0.6483 Remote Similarity NPD4135 Approved
0.6483 Remote Similarity NPD4106 Approved
0.6483 Remote Similarity NPD4136 Approved
0.6474 Remote Similarity NPD5763 Approved
0.6474 Remote Similarity NPD2346 Discontinued
0.6474 Remote Similarity NPD5762 Approved
0.6467 Remote Similarity NPD6832 Phase 2
0.6467 Remote Similarity NPD7055 Discontinued
0.6467 Remote Similarity NPD7075 Discontinued
0.6458 Remote Similarity NPD4196 Clinical (unspecified phase)
0.6458 Remote Similarity NPD5585 Approved
0.6456 Remote Similarity NPD8166 Discontinued
0.6454 Remote Similarity NPD4766 Approved
0.6449 Remote Similarity NPD1317 Discontinued
0.6447 Remote Similarity NPD7713 Phase 3
0.6443 Remote Similarity NPD2798 Approved
0.6441 Remote Similarity NPD8055 Clinical (unspecified phase)
0.6438 Remote Similarity NPD6799 Approved
0.6429 Remote Similarity NPD3528 Clinical (unspecified phase)
0.6425 Remote Similarity NPD8360 Approved
0.6425 Remote Similarity NPD8435 Approved
0.6425 Remote Similarity NPD8361 Approved
0.6419 Remote Similarity NPD5667 Approved
0.6416 Remote Similarity NPD8470 Clinical (unspecified phase)
0.6415 Remote Similarity NPD6190 Approved
0.6415 Remote Similarity NPD2354 Approved
0.641 Remote Similarity NPD2935 Discontinued
0.6406 Remote Similarity NPD1086 Approved
0.6406 Remote Similarity NPD1090 Approved
0.6406 Remote Similarity NPD1089 Approved
0.6405 Remote Similarity NPD4140 Approved
0.64 Remote Similarity NPD5204 Approved
0.6398 Remote Similarity NPD2532 Approved
0.6398 Remote Similarity NPD2534 Approved
0.6398 Remote Similarity NPD2533 Approved
0.6397 Remote Similarity NPD5048 Discontinued
0.6395 Remote Similarity NPD9717 Approved
0.6395 Remote Similarity NPD1608 Approved
0.6395 Remote Similarity NPD6637 Approved
0.6386 Remote Similarity NPD7819 Suspended
0.6385 Remote Similarity NPD1202 Approved
0.6376 Remote Similarity NPD2797 Approved
0.6353 Remote Similarity NPD8127 Discontinued
0.6352 Remote Similarity NPD4110 Phase 3
0.6352 Remote Similarity NPD7003 Approved
0.6352 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6352 Remote Similarity NPD2575 Approved
0.6352 Remote Similarity NPD7488 Clinical (unspecified phase)
0.6352 Remote Similarity NPD4109 Clinical (unspecified phase)
0.6349 Remote Similarity NPD9259 Approved
0.6349 Remote Similarity NPD9257 Approved
0.6346 Remote Similarity NPD4308 Phase 3
0.6346 Remote Similarity NPD7033 Discontinued
0.6345 Remote Similarity NPD4105 Approved
0.6345 Remote Similarity NPD4102 Approved
0.6341 Remote Similarity NPD6591 Clinical (unspecified phase)
0.634 Remote Similarity NPD7715 Approved
0.634 Remote Similarity NPD8032 Phase 2
0.634 Remote Similarity NPD6233 Phase 2
0.634 Remote Similarity NPD7714 Approved
0.6331 Remote Similarity NPD5537 Clinical (unspecified phase)
0.6328 Remote Similarity NPD800 Approved
0.6316 Remote Similarity NPD7095 Approved
0.6316 Remote Similarity NPD6039 Approved
0.6313 Remote Similarity NPD8150 Discontinued
0.6309 Remote Similarity NPD2199 Approved
0.6309 Remote Similarity NPD2198 Approved
0.6304 Remote Similarity NPD6899 Approved
0.6304 Remote Similarity NPD6881 Approved
0.6303 Remote Similarity NPD7028 Phase 2
0.6296 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6296 Remote Similarity NPD8389 Clinical (unspecified phase)
0.6288 Remote Similarity NPD1989 Approved
0.6286 Remote Similarity NPD6649 Approved
0.6286 Remote Similarity NPD6650 Approved
0.6279 Remote Similarity NPD3673 Approved
0.6279 Remote Similarity NPD3672 Approved
0.6275 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6275 Remote Similarity NPD6798 Discontinued
0.6267 Remote Similarity NPD3267 Approved
0.6267 Remote Similarity NPD3266 Approved
0.6266 Remote Similarity NPD2353 Approved
0.6266 Remote Similarity NPD2344 Approved
0.6266 Remote Similarity NPD2355 Clinical (unspecified phase)
0.6258 Remote Similarity NPD447 Suspended
0.6258 Remote Similarity NPD4685 Phase 3
0.6258 Remote Similarity NPD4686 Approved
0.6258 Remote Similarity NPD4684 Phase 3
0.625 Remote Similarity NPD5201 Approved
0.625 Remote Similarity NPD4230 Clinical (unspecified phase)
0.625 Remote Similarity NPD1878 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   56662976
ChEMBL   CHEMBL1801690
ZINC  

Physicochemical Properties

Molecular Weight:  438.24
ALogP:  0.8637
MLogP:  3.88
XLogP:  6.423
# Rotatable Bonds:  9
Polar Surface Area:  76.13
# H-Bond Aceptor:  5
# H-Bond Donor:  1
# Rings:  5
# Heavy Atoms:  32

Download Data

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