Natural Product: NPC477896

Natural Product ID:  NPC477896
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C27H36O6
Standard InCHIKey:  ZBHRERABGSTQPS-ARBGMGSWSA-N
Standard InCHI:  InChI=1S/C27H36O6/c1-17(13-16-28)11-12-20-18(2)21(29)22(33-24(30)19-9-6-5-7-10-19)23-26(20,3)14-8-15-27(23,4)25(31)32/h5-7,9-10,13,20-23,28-29H,2,8,11-12,14-16H2,1,3-4H3,(H,31,32)/b17-13+/t20-,21+,22-,23-,26-,27+/m1/s1
Canonical SMILES:  OC/C=C(/CC[C@@H]1C(=C)[C@H](O)[C@H]([C@@H]2[C@]1(C)CCC[C@]2(C)C(=O)O)OC(=O)c1ccccc1)C
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
NPO15289 Scoparia dulcis Species Plantaginaceae Eukaryota aerial parts Nanning, Guangxi Zhuang Autonomous Region, People’s Republic of China 2012-OCT PMID[24955889]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1618 Individual Protein Peroxisome proliferator-activated receptor gamma Mus musculus EC50 > 100000 nM 24955889

  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 NPC477896 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
0.9844 High Similarity NPC477893
0.937 High Similarity NPC169913
0.9333 High Similarity NPC477894
0.9291 High Similarity NPC275576
0.9259 High Similarity NPC182869
0.9111 High Similarity NPC100913
0.9111 High Similarity NPC275592
0.9058 High Similarity NPC127857
0.9044 High Similarity NPC27377
0.9044 High Similarity NPC41481
0.9044 High Similarity NPC97947
0.9044 High Similarity NPC472576
0.9044 High Similarity NPC87448
0.9044 High Similarity NPC291599
0.9044 High Similarity NPC118080
0.903 High Similarity NPC472372
0.903 High Similarity NPC472374
0.9 High Similarity NPC60509
0.9 High Similarity NPC250046
0.9 High Similarity NPC81698
0.8971 High Similarity NPC472547
0.8971 High Similarity NPC97667
0.8971 High Similarity NPC90614
0.8971 High Similarity NPC171207
0.8963 High Similarity NPC39549
0.8936 High Similarity NPC161239
0.8936 High Similarity NPC7095
0.8936 High Similarity NPC198455
0.8936 High Similarity NPC165260
0.8921 High Similarity NPC472556
0.8913 High Similarity NPC91703
0.8905 High Similarity NPC16912
0.8889 High Similarity NPC472551
0.8889 High Similarity NPC472545
0.8881 High Similarity NPC126516
0.8881 High Similarity NPC329913
0.8881 High Similarity NPC48929
0.8873 High Similarity NPC197037
0.8873 High Similarity NPC471103
0.8849 High Similarity NPC241951
0.8849 High Similarity NPC470152
0.8849 High Similarity NPC475759
0.8849 High Similarity NPC38696
0.8849 High Similarity NPC475122
0.8841 High Similarity NPC34012
0.8819 High Similarity NPC469730
0.8819 High Similarity NPC21410
0.8819 High Similarity NPC132599
0.8819 High Similarity NPC473632
0.8819 High Similarity NPC473670
0.8811 High Similarity NPC477905
0.8811 High Similarity NPC472548
0.8803 High Similarity NPC91730
0.8803 High Similarity NPC112216
0.8786 High Similarity NPC472572
0.8786 High Similarity NPC473088
0.8786 High Similarity NPC200471
0.8786 High Similarity NPC472568
0.8786 High Similarity NPC96903
0.8786 High Similarity NPC174982
0.8786 High Similarity NPC470157
0.8786 High Similarity NPC472571
0.8786 High Similarity NPC476973
0.8786 High Similarity NPC472575
0.8786 High Similarity NPC469349
0.8786 High Similarity NPC29704
0.8786 High Similarity NPC471104
0.8786 High Similarity NPC70403
0.8786 High Similarity NPC470159
0.8786 High Similarity NPC158663
0.8786 High Similarity NPC171525
0.8786 High Similarity NPC184817
0.8786 High Similarity NPC177940
0.8777 High Similarity NPC163087
0.8777 High Similarity NPC95449
0.8768 High Similarity NPC224491
0.875 High Similarity NPC472022
0.875 High Similarity NPC472005
0.875 High Similarity NPC134685
0.875 High Similarity NPC256142
0.875 High Similarity NPC304876
0.875 High Similarity NPC248265
0.875 High Similarity NPC237549
0.875 High Similarity NPC257213
0.875 High Similarity NPC473414
0.875 High Similarity NPC242262
0.875 High Similarity NPC472030
0.875 High Similarity NPC1173
0.875 High Similarity NPC158333
0.875 High Similarity NPC265395
0.875 High Similarity NPC11588
0.875 High Similarity NPC229545
0.875 High Similarity NPC249471
0.8741 High Similarity NPC306799
0.8741 High Similarity NPC474608
0.8741 High Similarity NPC51602
0.8741 High Similarity NPC101043
0.8714 High Similarity NPC57628
0.8714 High Similarity NPC11685
0.8714 High Similarity NPC95265
0.8714 High Similarity NPC25768
0.8714 High Similarity NPC70716
0.8714 High Similarity NPC472569
0.8714 High Similarity NPC125106
0.8714 High Similarity NPC163719
0.8714 High Similarity NPC472573
0.8714 High Similarity NPC95810
0.8714 High Similarity NPC188865
0.8714 High Similarity NPC34943
0.8714 High Similarity NPC476974
0.8714 High Similarity NPC472570
0.8705 High Similarity NPC192658
0.869 High Similarity NPC155329
0.869 High Similarity NPC112523
0.869 High Similarity NPC473611
0.869 High Similarity NPC228204
0.869 High Similarity NPC26033
0.869 High Similarity NPC114410
0.869 High Similarity NPC259144
0.869 High Similarity NPC114357
0.869 High Similarity NPC472549
0.8676 High Similarity NPC291638
0.8676 High Similarity NPC472577
0.8676 High Similarity NPC17877
0.8676 High Similarity NPC195647
0.8676 High Similarity NPC66761
0.8662 High Similarity NPC217918
0.8652 High Similarity NPC92867
0.8652 High Similarity NPC311825
0.8643 High Similarity NPC477468
0.8636 High Similarity NPC470753
0.8636 High Similarity NPC473220
0.863 High Similarity NPC106895
0.8623 High Similarity NPC9905
0.8621 High Similarity NPC77719
0.8621 High Similarity NPC219419
0.8611 High Similarity NPC470153
0.8603 High Similarity NPC203486
0.8601 High Similarity NPC270590
0.8601 High Similarity NPC301556
0.8601 High Similarity NPC92293
0.8601 High Similarity NPC473215
0.8601 High Similarity NPC476975
0.8601 High Similarity NPC471101
0.8601 High Similarity NPC266265
0.8593 High Similarity NPC472394
0.8592 High Similarity NPC473602
0.8592 High Similarity NPC240115
0.8592 High Similarity NPC474935
0.8592 High Similarity NPC20255
0.8582 High Similarity NPC147561
0.8571 High Similarity NPC472546
0.8571 High Similarity NPC469417
0.8571 High Similarity NPC469771
0.8562 High Similarity NPC282239
0.8561 High Similarity NPC162613
0.8561 High Similarity NPC87934
0.8561 High Similarity NPC470765
0.8551 High Similarity NPC283375
0.8551 High Similarity NPC183122
0.8542 High Similarity NPC470245
0.8542 High Similarity NPC473214
0.8542 High Similarity NPC469448
0.8531 High Similarity NPC132652
0.8531 High Similarity NPC473760
0.8531 High Similarity NPC281717
0.8521 High Similarity NPC125882
0.8521 High Similarity NPC478264
0.8521 High Similarity NPC471100
0.8521 High Similarity NPC471107
0.8519 High Similarity NPC72915
0.8514 High Similarity NPC469399
0.8503 High Similarity NPC217091
0.85 High Similarity NPC266374
0.8496 Intermediate Similarity NPC253681
0.8493 Intermediate Similarity NPC469477
0.8493 Intermediate Similarity NPC133430
0.8489 Intermediate Similarity NPC214550
0.8489 Intermediate Similarity NPC210591
0.8489 Intermediate Similarity NPC475652
0.8462 Intermediate Similarity NPC469513
0.8462 Intermediate Similarity NPC478263
0.8462 Intermediate Similarity NPC209592
0.8462 Intermediate Similarity NPC48599
0.8456 Intermediate Similarity NPC80599
0.8446 Intermediate Similarity NPC472393
0.8444 Intermediate Similarity NPC472388
0.8444 Intermediate Similarity NPC262819
0.8444 Intermediate Similarity NPC473443
0.844 Intermediate Similarity NPC475135
0.8433 Intermediate Similarity NPC115797
0.8433 Intermediate Similarity NPC51448
0.8429 Intermediate Similarity NPC473081
0.8429 Intermediate Similarity NPC477904
0.8429 Intermediate Similarity NPC43241
0.8429 Intermediate Similarity NPC473112
0.8429 Intermediate Similarity NPC211137
0.8429 Intermediate Similarity NPC4341
0.8429 Intermediate Similarity NPC200592
0.8429 Intermediate Similarity NPC476094

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC477896 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
0.8264 Intermediate Similarity NPD7236 Approved
0.8175 Intermediate Similarity NPD5952 Clinical (unspecified phase)
0.8062 Intermediate Similarity NPD2629 Approved
0.8 Intermediate Similarity NPD4628 Phase 3
0.7987 Intermediate Similarity NPD7239 Suspended
0.7786 Intermediate Similarity NPD7008 Discontinued
0.7669 Intermediate Similarity NPD8368 Discontinued
0.7652 Intermediate Similarity NPD5951 Approved
0.764 Intermediate Similarity NPD7799 Discontinued
0.7635 Intermediate Similarity NPD8166 Discontinued
0.7615 Intermediate Similarity NPD2181 Clinical (unspecified phase)
0.7597 Intermediate Similarity NPD2182 Approved
0.7597 Intermediate Similarity NPD6831 Clinical (unspecified phase)
0.7594 Intermediate Similarity NPD4198 Discontinued
0.7582 Intermediate Similarity NPD7458 Discontinued
0.7571 Intermediate Similarity NPD6007 Clinical (unspecified phase)
0.756 Intermediate Similarity NPD8360 Approved
0.756 Intermediate Similarity NPD8361 Approved
0.7545 Intermediate Similarity NPD8424 Clinical (unspecified phase)
0.7545 Intermediate Similarity NPD8434 Phase 2
0.753 Intermediate Similarity NPD8407 Phase 2
0.7516 Intermediate Similarity NPD7057 Phase 3
0.7516 Intermediate Similarity NPD7058 Phase 2
0.7485 Intermediate Similarity NPD8470 Clinical (unspecified phase)
0.7483 Intermediate Similarity NPD3764 Approved
0.7467 Intermediate Similarity NPD6190 Approved
0.7456 Intermediate Similarity NPD8435 Approved
0.745 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7445 Intermediate Similarity NPD3412 Clinical (unspecified phase)
0.7438 Intermediate Similarity NPD8127 Discontinued
0.7405 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7386 Intermediate Similarity NPD6273 Approved
0.7379 Intermediate Similarity NPD7966 Clinical (unspecified phase)
0.7378 Intermediate Similarity NPD5844 Phase 1
0.7337 Intermediate Similarity NPD8150 Discontinued
0.7329 Intermediate Similarity NPD230 Phase 1
0.7319 Intermediate Similarity NPD7163 Clinical (unspecified phase)
0.731 Intermediate Similarity NPD7961 Discontinued
0.7299 Intermediate Similarity NPD7741 Discontinued
0.7299 Intermediate Similarity NPD8485 Approved
0.7299 Intermediate Similarity NPD9545 Approved
0.7287 Intermediate Similarity NPD164 Approved
0.7285 Intermediate Similarity NPD7003 Approved
0.7278 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7256 Intermediate Similarity NPD7473 Discontinued
0.725 Intermediate Similarity NPD7075 Discontinued
0.7208 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.72 Intermediate Similarity NPD7702 Clinical (unspecified phase)
0.7197 Intermediate Similarity NPD4380 Phase 2
0.7192 Intermediate Similarity NPD6663 Approved
0.7181 Intermediate Similarity NPD7305 Phase 1
0.7178 Intermediate Similarity NPD6232 Discontinued
0.7176 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7175 Intermediate Similarity NPD8486 Clinical (unspecified phase)
0.717 Intermediate Similarity NPD7819 Suspended
0.717 Intermediate Similarity NPD5761 Phase 2
0.717 Intermediate Similarity NPD5760 Phase 2
0.7153 Intermediate Similarity NPD5736 Approved
0.7143 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7134 Intermediate Similarity NPD3226 Approved
0.7134 Intermediate Similarity NPD6591 Clinical (unspecified phase)
0.7134 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7132 Intermediate Similarity NPD690 Clinical (unspecified phase)
0.7109 Intermediate Similarity NPD1238 Approved
0.7107 Intermediate Similarity NPD37 Approved
0.7107 Intermediate Similarity NPD6801 Discontinued
0.7095 Intermediate Similarity NPD6355 Discontinued
0.7092 Intermediate Similarity NPD6287 Discontinued
0.709 Intermediate Similarity NPD4141 Clinical (unspecified phase)
0.7089 Intermediate Similarity NPD6599 Discontinued
0.7086 Intermediate Similarity NPD2346 Discontinued
0.7081 Intermediate Similarity NPD4967 Phase 2
0.7081 Intermediate Similarity NPD4965 Approved
0.7081 Intermediate Similarity NPD4966 Approved
0.7077 Intermediate Similarity NPD1930 Approved
0.7077 Intermediate Similarity NPD6647 Phase 2
0.7077 Intermediate Similarity NPD1931 Clinical (unspecified phase)
0.7077 Intermediate Similarity NPD1929 Approved
0.7071 Intermediate Similarity NPD5125 Phase 3
0.7071 Intermediate Similarity NPD5126 Approved
0.7069 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7067 Intermediate Similarity NPD2799 Discontinued
0.7063 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD8312 Approved
0.7059 Intermediate Similarity NPD8313 Approved
0.7052 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7041 Intermediate Similarity NPD7685 Pre-registration
0.7037 Intermediate Similarity NPD1609 Clinical (unspecified phase)
0.7023 Intermediate Similarity NPD1237 Approved
0.7023 Intermediate Similarity NPD5909 Discontinued
0.702 Intermediate Similarity NPD2935 Discontinued
0.7015 Intermediate Similarity NPD2067 Discontinued
0.7007 Intermediate Similarity NPD6798 Discontinued
0.7007 Intermediate Similarity NPD2313 Discontinued
0.7 Intermediate Similarity NPD1934 Approved
0.6994 Remote Similarity NPD6234 Discontinued
0.6987 Remote Similarity NPD2532 Approved
0.6987 Remote Similarity NPD7422 Clinical (unspecified phase)
0.6987 Remote Similarity NPD2533 Approved
0.6987 Remote Similarity NPD2534 Approved
0.6985 Remote Similarity NPD6858 Approved
0.6985 Remote Similarity NPD7094 Approved
0.6982 Remote Similarity NPD7993 Clinical (unspecified phase)
0.6974 Remote Similarity NPD7266 Discontinued
0.6974 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6972 Remote Similarity NPD4807 Approved
0.6972 Remote Similarity NPD4806 Approved
0.697 Remote Similarity NPD5048 Discontinued
0.6966 Remote Similarity NPD5740 Clinical (unspecified phase)
0.6966 Remote Similarity NPD6085 Phase 2
0.695 Remote Similarity NPD5305 Approved
0.695 Remote Similarity NPD5306 Approved
0.6948 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6941 Remote Similarity NPD6764 Approved
0.6941 Remote Similarity NPD6765 Approved
0.6939 Remote Similarity NPD7095 Approved
0.6937 Remote Similarity NPD7411 Suspended
0.6934 Remote Similarity NPD6010 Discontinued
0.6933 Remote Similarity NPD4381 Clinical (unspecified phase)
0.6928 Remote Similarity NPD970 Clinical (unspecified phase)
0.6923 Remote Similarity NPD1608 Approved
0.6923 Remote Similarity NPD6799 Approved
0.6914 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6914 Remote Similarity NPD3817 Phase 2
0.6914 Remote Similarity NPD5402 Approved
0.6908 Remote Similarity NPD5404 Approved
0.6908 Remote Similarity NPD5405 Approved
0.6908 Remote Similarity NPD5406 Approved
0.6908 Remote Similarity NPD5408 Approved
0.6905 Remote Similarity NPD7228 Approved
0.6905 Remote Similarity NPD3818 Discontinued
0.6903 Remote Similarity NPD7274 Clinical (unspecified phase)
0.6901 Remote Similarity NPD7457 Clinical (unspecified phase)
0.6899 Remote Similarity NPD9495 Approved
0.6897 Remote Similarity NPD1470 Approved
0.6887 Remote Similarity NPD7097 Phase 1
0.6886 Remote Similarity NPD6168 Clinical (unspecified phase)
0.6886 Remote Similarity NPD6167 Clinical (unspecified phase)
0.6886 Remote Similarity NPD6166 Phase 2
0.6879 Remote Similarity NPD8389 Clinical (unspecified phase)
0.6871 Remote Similarity NPD7768 Phase 2
0.6863 Remote Similarity NPD5763 Approved
0.6863 Remote Similarity NPD5762 Approved
0.6857 Remote Similarity NPD7610 Discontinued
0.6852 Remote Similarity NPD8455 Phase 2
0.6852 Remote Similarity NPD1465 Phase 2
0.6852 Remote Similarity NPD2801 Approved
0.6848 Remote Similarity NPD5494 Approved
0.6846 Remote Similarity NPD7714 Approved
0.6846 Remote Similarity NPD6233 Phase 2
0.6846 Remote Similarity NPD2066 Phase 3
0.6846 Remote Similarity NPD7715 Approved
0.6839 Remote Similarity NPD3750 Approved
0.6839 Remote Similarity NPD4109 Clinical (unspecified phase)
0.6839 Remote Similarity NPD4110 Phase 3
0.6832 Remote Similarity NPD6385 Approved
0.6832 Remote Similarity NPD6386 Approved
0.6824 Remote Similarity NPD7074 Phase 3
0.6821 Remote Similarity NPD3528 Clinical (unspecified phase)
0.6813 Remote Similarity NPD3455 Phase 2
0.6812 Remote Similarity NPD4869 Clinical (unspecified phase)
0.6807 Remote Similarity NPD7199 Phase 2
0.6806 Remote Similarity NPD3972 Approved
0.6803 Remote Similarity NPD9494 Approved
0.68 Remote Similarity NPD4140 Approved
0.68 Remote Similarity NPD4060 Phase 1
0.6792 Remote Similarity NPD5403 Approved
0.6792 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6791 Remote Similarity NPD6685 Approved
0.6783 Remote Similarity NPD4136 Approved
0.6783 Remote Similarity NPD4135 Approved
0.6783 Remote Similarity NPD4106 Approved
0.6782 Remote Similarity NPD6784 Approved
0.6782 Remote Similarity NPD6785 Approved
0.6781 Remote Similarity NPD2797 Approved
0.6779 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6779 Remote Similarity NPD3268 Approved
0.6776 Remote Similarity NPD7497 Discontinued
0.6772 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6768 Remote Similarity NPD3882 Suspended
0.6765 Remote Similarity NPD7804 Clinical (unspecified phase)
0.6765 Remote Similarity NPD7054 Approved
0.6761 Remote Similarity NPD4196 Clinical (unspecified phase)
0.6755 Remote Similarity NPD447 Suspended
0.6753 Remote Similarity NPD6005 Phase 3
0.6753 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6753 Remote Similarity NPD6002 Phase 3
0.6753 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6753 Remote Similarity NPD6004 Phase 3
0.6739 Remote Similarity NPD8320 Phase 1
0.6739 Remote Similarity NPD8319 Approved
0.6736 Remote Similarity NPD1201 Approved
0.6735 Remote Similarity NPD2798 Approved
0.6733 Remote Similarity NPD8032 Phase 2
0.6733 Remote Similarity NPD7713 Phase 3
0.6732 Remote Similarity NPD7033 Discontinued
0.6732 Remote Similarity NPD1510 Phase 2
0.6732 Remote Similarity NPD1509 Clinical (unspecified phase)
0.6728 Remote Similarity NPD6677 Suspended
0.6725 Remote Similarity NPD7472 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3314494
ZINC  

Physicochemical Properties

Molecular Weight:  456.25
ALogP:  0.5228
MLogP:  3.77
XLogP:  5.232
# Rotatable Bonds:  14
Polar Surface Area:  104.06
# H-Bond Aceptor:  6
# H-Bond Donor:  3
# Rings:  3
# Heavy Atoms:  33

Download Data

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