Natural Product: NPC79130

Natural Product ID:  NPC79130
Common Name:   Elliptifoline
IUPAC Name:  
Synonyms:   Elliptifoline
Molecular Formula:   C36H40N2O8
Standard InCHIKey:  VRXIZYQZACJUDE-AOHDHECJSA-N
Standard InCHI:  InChI=1S/C36H40N2O8/c1-6-21(2)32(39)37-28-13-10-18-38(28)33(40)31-29(22-11-8-7-9-12-22)36(23-14-16-24(43-3)17-15-23)34(41)35(31,42)30-26(45-5)19-25(44-4)20-27(30)46-36/h6-9,11-12,14-17,19-20,28-29,31,34,41-42H,10,13,18H2,1-5H3,(H,37,39)/b21-6+/t28-,29+,31-,34-,35-,36-/m0/s1
Canonical SMILES:  COc1cc(OC)c2c(c1)O[C@@]1([C@H]([C@@]2(O)[C@@H]([C@H]1c1ccccc1)C(=O)N1CCC[C@H]1N=C(/C(=C/C)/C)O)O)c1ccc(cc1)OC
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
NPO10244 Aglaia elliptifolia Species Meliaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT81 Cell Line A549 Homo sapiens ED50 = 18.9 ug/ml 11170675
NPT116 Cell Line HL-60 Homo sapiens ED50 > 50 ug/ml 11170675
NPT139 Cell Line HT-29 Homo sapiens ED50 > 50 ug/ml 11170675
NPT91 Cell Line KB Homo sapiens ED50 > 50 ug/ml 11170675
NPT168 Cell Line P388 Mus musculus ED50 = 3.41 ug/ml 11170675

  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 NPC79130 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
0.9679 High Similarity NPC293347
0.9454 High Similarity NPC308709
0.9146 High Similarity NPC475349
0.9146 High Similarity NPC475565
0.9146 High Similarity NPC475442
0.9146 High Similarity NPC475292
0.9005 High Similarity NPC475624
0.8962 High Similarity NPC206061
0.8719 High Similarity NPC470846
0.8333 Intermediate Similarity NPC235698
0.83 Intermediate Similarity NPC258128
0.8207 Intermediate Similarity NPC470936
0.82 Intermediate Similarity NPC169605
0.8177 Intermediate Similarity NPC14390
0.8088 Intermediate Similarity NPC197125
0.7958 Intermediate Similarity NPC149502
0.7958 Intermediate Similarity NPC254071
0.7958 Intermediate Similarity NPC222665
0.7958 Intermediate Similarity NPC271755
0.7957 Intermediate Similarity NPC310399
0.7957 Intermediate Similarity NPC73422
0.7903 Intermediate Similarity NPC209473
0.7903 Intermediate Similarity NPC329743
0.7826 Intermediate Similarity NPC87363
0.7819 Intermediate Similarity NPC90336
0.7742 Intermediate Similarity NPC470847
0.7696 Intermediate Similarity NPC5674
0.7581 Intermediate Similarity NPC51543
0.7561 Intermediate Similarity NPC476661
0.7524 Intermediate Similarity NPC476662
0.7475 Intermediate Similarity NPC23593
0.7424 Intermediate Similarity NPC107739
0.7402 Intermediate Similarity NPC471563
0.74 Intermediate Similarity NPC236089
0.7387 Intermediate Similarity NPC263955
0.7377 Intermediate Similarity NPC184607
0.735 Intermediate Similarity NPC29587
0.7343 Intermediate Similarity NPC123859
0.7322 Intermediate Similarity NPC470937
0.7312 Intermediate Similarity NPC20360
0.7291 Intermediate Similarity NPC283207
0.7291 Intermediate Similarity NPC29531
0.7264 Intermediate Similarity NPC229234
0.7259 Intermediate Similarity NPC211713
0.7259 Intermediate Similarity NPC88378
0.7259 Intermediate Similarity NPC129578
0.7246 Intermediate Similarity NPC281629
0.7246 Intermediate Similarity NPC144314
0.7225 Intermediate Similarity NPC242728
0.7212 Intermediate Similarity NPC83019
0.7212 Intermediate Similarity NPC50548
0.7208 Intermediate Similarity NPC475621
0.7198 Intermediate Similarity NPC470646
0.7198 Intermediate Similarity NPC149962
0.7196 Intermediate Similarity NPC476496
0.7169 Intermediate Similarity NPC82056
0.7165 Intermediate Similarity NPC469479
0.7163 Intermediate Similarity NPC204580
0.715 Intermediate Similarity NPC94687
0.715 Intermediate Similarity NPC106840
0.715 Intermediate Similarity NPC476495
0.7143 Intermediate Similarity NPC469689
0.7143 Intermediate Similarity NPC276120
0.7143 Intermediate Similarity NPC471031
0.7122 Intermediate Similarity NPC469437
0.7103 Intermediate Similarity NPC326895
0.7078 Intermediate Similarity NPC38964
0.7074 Intermediate Similarity NPC212697
0.7073 Intermediate Similarity NPC471395
0.7067 Intermediate Similarity NPC264938
0.7056 Intermediate Similarity NPC90984
0.703 Intermediate Similarity NPC309692
0.7028 Intermediate Similarity NPC316164
0.702 Intermediate Similarity NPC473009
0.702 Intermediate Similarity NPC214279
0.701 Intermediate Similarity NPC315542
0.7005 Intermediate Similarity NPC186228
0.7005 Intermediate Similarity NPC473378
0.7005 Intermediate Similarity NPC92589
0.7005 Intermediate Similarity NPC473407
0.7 Intermediate Similarity NPC476459
0.699 Remote Similarity NPC179250
0.699 Remote Similarity NPC50380
0.6985 Remote Similarity NPC473010
0.6981 Remote Similarity NPC475654
0.698 Remote Similarity NPC477529
0.6977 Remote Similarity NPC80472
0.6974 Remote Similarity NPC165483
0.6974 Remote Similarity NPC10754
0.6974 Remote Similarity NPC20530
0.6974 Remote Similarity NPC215917
0.697 Remote Similarity NPC473012
0.6968 Remote Similarity NPC313414
0.6961 Remote Similarity NPC473562
0.695 Remote Similarity NPC82330
0.6946 Remote Similarity NPC329816
0.6944 Remote Similarity NPC314596
0.6943 Remote Similarity NPC178484
0.6943 Remote Similarity NPC472636
0.6943 Remote Similarity NPC471677
0.6939 Remote Similarity NPC271741
0.6939 Remote Similarity NPC287789
0.6939 Remote Similarity NPC257166
0.6935 Remote Similarity NPC328494
0.6935 Remote Similarity NPC63438
0.6931 Remote Similarity NPC102277
0.6931 Remote Similarity NPC279209
0.693 Remote Similarity NPC477666
0.6927 Remote Similarity NPC138083
0.6923 Remote Similarity NPC477958
0.6919 Remote Similarity NPC158188
0.6919 Remote Similarity NPC234318
0.6919 Remote Similarity NPC312273
0.6919 Remote Similarity NPC301256
0.6916 Remote Similarity NPC311357
0.6916 Remote Similarity NPC286135
0.6912 Remote Similarity NPC99723
0.6907 Remote Similarity NPC475790
0.6907 Remote Similarity NPC161881
0.6907 Remote Similarity NPC477957
0.6907 Remote Similarity NPC473996
0.6907 Remote Similarity NPC10807
0.6907 Remote Similarity NPC150123
0.6907 Remote Similarity NPC56232
0.6907 Remote Similarity NPC244583
0.6906 Remote Similarity NPC37957
0.6904 Remote Similarity NPC15815
0.6904 Remote Similarity NPC471396
0.6904 Remote Similarity NPC254700
0.6904 Remote Similarity NPC51247
0.6901 Remote Similarity NPC477551
0.6898 Remote Similarity NPC314946
0.6897 Remote Similarity NPC32064
0.6891 Remote Similarity NPC476509
0.689 Remote Similarity NPC318805
0.689 Remote Similarity NPC41122
0.6888 Remote Similarity NPC189730
0.6888 Remote Similarity NPC78492
0.6888 Remote Similarity NPC67080
0.6888 Remote Similarity NPC208152
0.6888 Remote Similarity NPC198489
0.6888 Remote Similarity NPC61112
0.6887 Remote Similarity NPC477550
0.6887 Remote Similarity NPC477552
0.6881 Remote Similarity NPC53252
0.6878 Remote Similarity NPC324220
0.6878 Remote Similarity NPC312630
0.6872 Remote Similarity NPC20907
0.6872 Remote Similarity NPC209760
0.6872 Remote Similarity NPC203080
0.6872 Remote Similarity NPC223701
0.6872 Remote Similarity NPC244250
0.6872 Remote Similarity NPC472583
0.6872 Remote Similarity NPC469405
0.6872 Remote Similarity NPC7989
0.6872 Remote Similarity NPC100134
0.6866 Remote Similarity NPC164608
0.6866 Remote Similarity NPC43065
0.6866 Remote Similarity NPC119589
0.6866 Remote Similarity NPC257266
0.6863 Remote Similarity NPC168789
0.6862 Remote Similarity NPC307287
0.6856 Remote Similarity NPC474772
0.6856 Remote Similarity NPC474023
0.6856 Remote Similarity NPC474744
0.6856 Remote Similarity NPC471676
0.6856 Remote Similarity NPC289774
0.6856 Remote Similarity NPC328740
0.6856 Remote Similarity NPC472580
0.6856 Remote Similarity NPC471229
0.6856 Remote Similarity NPC244577
0.6856 Remote Similarity NPC263384
0.6856 Remote Similarity NPC209846
0.6856 Remote Similarity NPC472422
0.6856 Remote Similarity NPC474021
0.6856 Remote Similarity NPC472420
0.6856 Remote Similarity NPC472423
0.6856 Remote Similarity NPC477897
0.6856 Remote Similarity NPC471675
0.6853 Remote Similarity NPC1796
0.6853 Remote Similarity NPC475184
0.6853 Remote Similarity NPC471394
0.6853 Remote Similarity NPC293164
0.6847 Remote Similarity NPC8704
0.6847 Remote Similarity NPC91043
0.6847 Remote Similarity NPC287884
0.6842 Remote Similarity NPC470642
0.6842 Remote Similarity NPC314987
0.684 Remote Similarity NPC66909
0.6839 Remote Similarity NPC472628
0.6839 Remote Similarity NPC277032
0.6837 Remote Similarity NPC259710
0.6837 Remote Similarity NPC201227
0.6837 Remote Similarity NPC217706
0.6837 Remote Similarity NPC164152
0.6837 Remote Similarity NPC258474
0.6837 Remote Similarity NPC477530
0.6837 Remote Similarity NPC304745
0.6837 Remote Similarity NPC470681
0.6837 Remote Similarity NPC48579

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC79130 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
0.7337 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7282 Intermediate Similarity NPD8051 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.712 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7103 Intermediate Similarity NPD7584 Approved
0.7095 Intermediate Similarity NPD7811 Phase 3
0.7095 Intermediate Similarity NPD7810 Phase 3
0.7067 Intermediate Similarity NPD4363 Phase 3
0.7067 Intermediate Similarity NPD4360 Phase 2
0.7043 Intermediate Similarity NPD7466 Approved
0.7042 Intermediate Similarity NPD7497 Discontinued
0.6952 Remote Similarity NPD4361 Phase 2
0.6952 Remote Similarity NPD4362 Clinical (unspecified phase)
0.6927 Remote Similarity NPD7090 Clinical (unspecified phase)
0.6923 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6919 Remote Similarity NPD7199 Phase 2
0.6916 Remote Similarity NPD8059 Phase 3
0.6916 Remote Similarity NPD8058 Clinical (unspecified phase)
0.6895 Remote Similarity NPD7447 Phase 1
0.6884 Remote Similarity NPD7608 Discontinued
0.6872 Remote Similarity NPD7667 Clinical (unspecified phase)
0.6869 Remote Similarity NPD2494 Approved
0.6869 Remote Similarity NPD2493 Approved
0.6866 Remote Similarity NPD7583 Approved
0.6857 Remote Similarity NPD4466 Phase 1
0.6852 Remote Similarity NPD4582 Approved
0.6852 Remote Similarity NPD4583 Approved
0.6842 Remote Similarity NPD7212 Phase 2
0.6842 Remote Similarity NPD8469 Approved
0.6842 Remote Similarity NPD7213 Phase 3
0.6842 Remote Similarity NPD3808 Clinical (unspecified phase)
0.684 Remote Similarity NPD2974 Approved
0.684 Remote Similarity NPD2975 Approved
0.684 Remote Similarity NPD2973 Approved
0.6835 Remote Similarity NPD7585 Approved
0.6829 Remote Similarity NPD7549 Discontinued
0.6822 Remote Similarity NPD4580 Approved
0.6821 Remote Similarity NPD7577 Discontinued
0.6806 Remote Similarity NPD7020 Approved
0.6806 Remote Similarity NPD4002 Approved
0.6806 Remote Similarity NPD7019 Approved
0.6806 Remote Similarity NPD4004 Approved
0.68 Remote Similarity NPD7315 Approved
0.6791 Remote Similarity NPD3452 Approved
0.6791 Remote Similarity NPD3450 Approved
0.6786 Remote Similarity NPD6668 Clinical (unspecified phase)
0.6766 Remote Similarity NPD7184 Clinical (unspecified phase)
0.6763 Remote Similarity NPD8053 Approved
0.6763 Remote Similarity NPD8054 Approved
0.6759 Remote Similarity NPD6863 Phase 2
0.6753 Remote Similarity NPD8158 Clinical (unspecified phase)
0.6743 Remote Similarity NPD8161 Suspended
0.6742 Remote Similarity NPD7801 Approved
0.6736 Remote Similarity NPD7131 Phase 3
0.6734 Remote Similarity NPD8245 Clinical (unspecified phase)
0.6733 Remote Similarity NPD6167 Clinical (unspecified phase)
0.6733 Remote Similarity NPD6166 Phase 2
0.6733 Remote Similarity NPD6168 Clinical (unspecified phase)
0.6727 Remote Similarity NPD8151 Discontinued
0.6726 Remote Similarity NPD7930 Approved
0.6718 Remote Similarity NPD4380 Phase 2
0.6714 Remote Similarity NPD7861 Discontinued
0.6714 Remote Similarity NPD6377 Clinical (unspecified phase)
0.6702 Remote Similarity NPD6666 Approved
0.6702 Remote Similarity NPD6667 Approved
0.6701 Remote Similarity NPD5773 Approved
0.6701 Remote Similarity NPD7046 Clinical (unspecified phase)
0.6701 Remote Similarity NPD5772 Approved
0.67 Remote Similarity NPD2042 Clinical (unspecified phase)
0.67 Remote Similarity NPD2041 Clinical (unspecified phase)
0.67 Remote Similarity NPD6746 Phase 2
0.6698 Remote Similarity NPD7237 Clinical (unspecified phase)
0.6696 Remote Similarity NPD7047 Phase 3
0.6684 Remote Similarity NPD6072 Discontinued
0.6683 Remote Similarity NPD7975 Clinical (unspecified phase)
0.6683 Remote Similarity NPD4381 Clinical (unspecified phase)
0.6682 Remote Similarity NPD2490 Approved
0.6682 Remote Similarity NPD7701 Phase 2
0.6682 Remote Similarity NPD2488 Approved
0.6682 Remote Similarity NPD5525 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7783 Phase 2
0.6667 Remote Similarity NPD7782 Clinical (unspecified phase)
0.6667 Remote Similarity NPD3473 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7177 Discontinued
0.6667 Remote Similarity NPD7906 Approved
0.6667 Remote Similarity NPD6997 Phase 2
0.6667 Remote Similarity NPD5940 Clinical (unspecified phase)
0.6651 Remote Similarity NPD7296 Approved
0.665 Remote Similarity NPD6844 Discontinued
0.665 Remote Similarity NPD3823 Discontinued
0.6635 Remote Similarity NPD6836 Approved
0.6634 Remote Similarity NPD8156 Discontinued
0.6634 Remote Similarity NPD6020 Phase 2
0.6634 Remote Similarity NPD7804 Clinical (unspecified phase)
0.6633 Remote Similarity NPD4868 Clinical (unspecified phase)
0.6633 Remote Similarity NPD6502 Phase 2
0.6622 Remote Similarity NPD5726 Clinical (unspecified phase)
0.662 Remote Similarity NPD7565 Approved
0.6616 Remote Similarity NPD7972 Discontinued
0.6615 Remote Similarity NPD4210 Discontinued
0.6607 Remote Similarity NPD4377 Discontinued
0.6606 Remote Similarity NPD6823 Phase 2
0.66 Remote Similarity NPD8070 Approved
0.66 Remote Similarity NPD7075 Discontinued
0.6587 Remote Similarity NPD7132 Clinical (unspecified phase)
0.6585 Remote Similarity NPD8252 Approved
0.6585 Remote Similarity NPD7893 Clinical (unspecified phase)
0.6585 Remote Similarity NPD8099 Discontinued
0.6585 Remote Similarity NPD8251 Approved
0.658 Remote Similarity NPD8491 Approved
0.6569 Remote Similarity NPD4575 Clinical (unspecified phase)
0.6566 Remote Similarity NPD1934 Approved
0.6564 Remote Similarity NPD6198 Phase 1
0.6564 Remote Similarity NPD7427 Discontinued
0.6562 Remote Similarity NPD7910 Clinical (unspecified phase)
0.6562 Remote Similarity NPD7827 Phase 1
0.6559 Remote Similarity NPD2238 Phase 2
0.6555 Remote Similarity NPD2971 Approved
0.6555 Remote Similarity NPD5035 Approved
0.6555 Remote Similarity NPD2968 Approved
0.6552 Remote Similarity NPD3051 Approved
0.655 Remote Similarity NPD7907 Approved
0.6548 Remote Similarity NPD4675 Approved
0.6548 Remote Similarity NPD4678 Approved
0.6547 Remote Similarity NPD7875 Clinical (unspecified phase)
0.6547 Remote Similarity NPD7874 Approved
0.6546 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6545 Remote Similarity NPD2654 Approved
0.654 Remote Similarity NPD7048 Phase 3
0.654 Remote Similarity NPD4663 Approved
0.654 Remote Similarity NPD3863 Clinical (unspecified phase)
0.6538 Remote Similarity NPD7685 Pre-registration
0.6535 Remote Similarity NPD2904 Discontinued
0.6535 Remote Similarity NPD5494 Approved
0.6533 Remote Similarity NPD2393 Clinical (unspecified phase)
0.6533 Remote Similarity NPD5760 Phase 2
0.6533 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6533 Remote Similarity NPD5761 Phase 2
0.653 Remote Similarity NPD5006 Approved
0.653 Remote Similarity NPD5005 Approved
0.6522 Remote Similarity NPD4908 Phase 1
0.6522 Remote Similarity NPD7074 Phase 3
0.652 Remote Similarity NPD2969 Approved
0.652 Remote Similarity NPD2970 Approved
0.6515 Remote Similarity NPD7109 Clinical (unspecified phase)
0.6515 Remote Similarity NPD7110 Phase 1
0.6515 Remote Similarity NPD7411 Suspended
0.6507 Remote Similarity NPD7190 Clinical (unspecified phase)
0.6505 Remote Similarity NPD6620 Discovery
0.6505 Remote Similarity NPD3818 Discontinued
0.6505 Remote Similarity NPD7228 Approved
0.6495 Remote Similarity NPD7837 Clinical (unspecified phase)
0.6493 Remote Similarity NPD8055 Clinical (unspecified phase)
0.6492 Remote Similarity NPD7596 Clinical (unspecified phase)
0.6486 Remote Similarity NPD6973 Clinical (unspecified phase)
0.6482 Remote Similarity NPD7248 Discontinued
0.6482 Remote Similarity NPD7945 Clinical (unspecified phase)
0.6478 Remote Similarity NPD8366 Approved
0.6477 Remote Similarity NPD2219 Phase 1
0.6476 Remote Similarity NPD7312 Approved
0.6476 Remote Similarity NPD7313 Approved
0.6476 Remote Similarity NPD7310 Approved
0.6476 Remote Similarity NPD4577 Approved
0.6476 Remote Similarity NPD7311 Approved
0.6476 Remote Similarity NPD4578 Approved
0.6473 Remote Similarity NPD7054 Approved
0.6473 Remote Similarity NPD42 Phase 2
0.6473 Remote Similarity NPD6042 Phase 2
0.6471 Remote Similarity NPD3787 Discontinued
0.6471 Remote Similarity NPD6071 Discontinued
0.6471 Remote Similarity NPD8320 Phase 1
0.6471 Remote Similarity NPD8319 Approved
0.6468 Remote Similarity NPD4966 Approved
0.6468 Remote Similarity NPD4965 Approved
0.6468 Remote Similarity NPD8285 Discontinued
0.6468 Remote Similarity NPD4967 Phase 2
0.6463 Remote Similarity NPD4665 Approved
0.6463 Remote Similarity NPD4111 Phase 1
0.6462 Remote Similarity NPD8150 Discontinued
0.6462 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6452 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6452 Remote Similarity NPD6859 Clinical (unspecified phase)
0.645 Remote Similarity NPD7819 Suspended
0.645 Remote Similarity NPD8455 Phase 2
0.6445 Remote Similarity NPD7309 Approved
0.6445 Remote Similarity NPD6556 Clinical (unspecified phase)
0.6442 Remote Similarity NPD7472 Approved
0.644 Remote Similarity NPD6004 Phase 3
0.644 Remote Similarity NPD6006 Clinical (unspecified phase)
0.644 Remote Similarity NPD1552 Clinical (unspecified phase)
0.644 Remote Similarity NPD6003 Clinical (unspecified phase)
0.644 Remote Similarity NPD1550 Clinical (unspecified phase)
0.644 Remote Similarity NPD6002 Phase 3
0.644 Remote Similarity NPD6005 Phase 3
0.6436 Remote Similarity NPD8005 Clinical (unspecified phase)
0.6436 Remote Similarity NPD7833 Phase 2
0.6436 Remote Similarity NPD7831 Phase 2
0.6436 Remote Similarity NPD7832 Clinical (unspecified phase)
0.6436 Remote Similarity NPD3749 Approved
0.6432 Remote Similarity NPD7243 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   11802113
ChEMBL   CHEMBL506868
ZINC  

Physicochemical Properties

Molecular Weight:  628.28
ALogP:  -2.4759
MLogP:  4.32
XLogP:  6.668
# Rotatable Bonds:  17
Polar Surface Area:  130.28
# H-Bond Aceptor:  6
# H-Bond Donor:  3
# Rings:  6
# Heavy Atoms:  46

Download Data

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