Natural Product: NPC132810

Natural Product ID:  NPC132810
Common Name:   Garcinialiptone C
IUPAC Name:  
Synonyms:   Garcinialiptone C
Molecular Formula:   C38H50O7
Standard InCHIKey:  PNOWHQWZFXETJW-QBNHHQCHSA-N
Standard InCHI:  InChI=1S/C38H50O7/c1-21(2)11-12-24(23(5)6)17-26-20-37(16-15-22(3)4)32(42)27-19-30(36(9,10)44)45-33(27)38(34(37)43,35(26,7)8)31(41)25-13-14-28(39)29(40)18-25/h13-15,18,24,26,30,39-40,44H,1,5,11-12,16-17,19-20H2,2-4,6-10H3/t24-,26-,30+,37+,38-/m1/s1
Canonical SMILES:  CC(=CC[C@]12C[C@@H](C[C@H](C(=C)C)CCC(=C)C)C([C@@](C2=O)(C2=C(C1=O)C[C@H](O2)C(O)(C)C)C(=O)c1ccc(c(c1)O)O)(C)C)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
NPO7006 Garcinia subelliptica Species Clusiaceae Eukaryota PMID[20232858]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT91 Cell Line KB Homo sapiens IC50 = 3.4 ug/ml 19035792
NPT90 Cell Line DU-145 Homo sapiens IC50 = 4.3 ug/ml 19035792
NPT91 Cell Line KB Homo sapiens IC50 = 4.9 ug/ml 19035792
NPT81 Cell Line A549 Homo sapiens IC50 = 4.3 ug/ml 16180806

  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 NPC132810 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
0.9858 High Similarity NPC273798
0.958 High Similarity NPC471970
0.9448 High Similarity NPC264229
0.9448 High Similarity NPC46549
0.9441 High Similarity NPC8493
0.9441 High Similarity NPC469854
0.9441 High Similarity NPC294679
0.9441 High Similarity NPC469375
0.9441 High Similarity NPC145301
0.9441 High Similarity NPC469856
0.9441 High Similarity NPC144247
0.9437 High Similarity NPC30846
0.9437 High Similarity NPC469855
0.9437 High Similarity NPC471972
0.9437 High Similarity NPC471971
0.9362 High Similarity NPC294330
0.9291 High Similarity NPC297797
0.9291 High Similarity NPC289358
0.9291 High Similarity NPC46242
0.9291 High Similarity NPC50615
0.9291 High Similarity NPC473479
0.9291 High Similarity NPC51531
0.9291 High Similarity NPC5014
0.9291 High Similarity NPC165191
0.9291 High Similarity NPC149773
0.9291 High Similarity NPC245760
0.9291 High Similarity NPC114333
0.9291 High Similarity NPC42384
0.9291 High Similarity NPC91887
0.9291 High Similarity NPC28592
0.9291 High Similarity NPC469857
0.9291 High Similarity NPC23667
0.9291 High Similarity NPC157284
0.9291 High Similarity NPC477849
0.9291 High Similarity NPC473779
0.9161 High Similarity NPC473527
0.9149 High Similarity NPC7464
0.9133 High Similarity NPC305710
0.9122 High Similarity NPC237441
0.8889 High Similarity NPC469681
0.8889 High Similarity NPC471974
0.8889 High Similarity NPC469680
0.869 High Similarity NPC118366
0.8652 High Similarity NPC25736
0.8526 High Similarity NPC471968
0.8511 High Similarity NPC316553
0.8442 Intermediate Similarity NPC48949
0.8369 Intermediate Similarity NPC328997
0.8369 Intermediate Similarity NPC294050
0.8366 Intermediate Similarity NPC476821
0.8311 Intermediate Similarity NPC471152
0.8288 Intermediate Similarity NPC474715
0.8288 Intermediate Similarity NPC138472
0.8288 Intermediate Similarity NPC4170
0.8278 Intermediate Similarity NPC141817
0.8278 Intermediate Similarity NPC176030
0.8278 Intermediate Similarity NPC229218
0.8278 Intermediate Similarity NPC192597
0.8278 Intermediate Similarity NPC169214
0.8267 Intermediate Similarity NPC470035
0.8247 Intermediate Similarity NPC52692
0.8235 Intermediate Similarity NPC470038
0.8224 Intermediate Similarity NPC224884
0.8224 Intermediate Similarity NPC209085
0.8224 Intermediate Similarity NPC199936
0.821 Intermediate Similarity NPC100420
0.8193 Intermediate Similarity NPC471969
0.8188 Intermediate Similarity NPC277559
0.8188 Intermediate Similarity NPC119542
0.8163 Intermediate Similarity NPC111845
0.8158 Intermediate Similarity NPC469447
0.8158 Intermediate Similarity NPC184935
0.8158 Intermediate Similarity NPC477873
0.8158 Intermediate Similarity NPC248068
0.8146 Intermediate Similarity NPC471853
0.8146 Intermediate Similarity NPC476534
0.8141 Intermediate Similarity NPC474310
0.8133 Intermediate Similarity NPC230811
0.8121 Intermediate Similarity NPC38158
0.8117 Intermediate Similarity NPC258856
0.8105 Intermediate Similarity NPC46161
0.8105 Intermediate Similarity NPC239608
0.8089 Intermediate Similarity NPC470037
0.8082 Intermediate Similarity NPC117609
0.8072 Intermediate Similarity NPC472803
0.8069 Intermediate Similarity NPC234175
0.8067 Intermediate Similarity NPC264022
0.8067 Intermediate Similarity NPC475957
0.8067 Intermediate Similarity NPC49911
0.8061 Intermediate Similarity NPC470374
0.8061 Intermediate Similarity NPC471975
0.8061 Intermediate Similarity NPC478059
0.8061 Intermediate Similarity NPC470377
0.8061 Intermediate Similarity NPC478060
0.8056 Intermediate Similarity NPC146239
0.8054 Intermediate Similarity NPC153088
0.8054 Intermediate Similarity NPC43353
0.8052 Intermediate Similarity NPC309169
0.8052 Intermediate Similarity NPC53520
0.8052 Intermediate Similarity NPC196941
0.8041 Intermediate Similarity NPC327410
0.8041 Intermediate Similarity NPC294226
0.8038 Intermediate Similarity NPC144283
0.8028 Intermediate Similarity NPC139171
0.8 Intermediate Similarity NPC225351
0.8 Intermediate Similarity NPC478160
0.8 Intermediate Similarity NPC8102
0.8 Intermediate Similarity NPC66894
0.8 Intermediate Similarity NPC75295
0.8 Intermediate Similarity NPC470733
0.8 Intermediate Similarity NPC73416
0.8 Intermediate Similarity NPC160777
0.8 Intermediate Similarity NPC200726
0.7987 Intermediate Similarity NPC25491
0.7987 Intermediate Similarity NPC164912
0.7987 Intermediate Similarity NPC202225
0.7975 Intermediate Similarity NPC473579
0.7975 Intermediate Similarity NPC475311
0.7975 Intermediate Similarity NPC118033
0.7975 Intermediate Similarity NPC473680
0.7975 Intermediate Similarity NPC475454
0.7974 Intermediate Similarity NPC472410
0.7974 Intermediate Similarity NPC84273
0.7974 Intermediate Similarity NPC472904
0.7973 Intermediate Similarity NPC477407
0.7962 Intermediate Similarity NPC94781
0.7952 Intermediate Similarity NPC177362
0.795 Intermediate Similarity NPC478223
0.7949 Intermediate Similarity NPC143685
0.7937 Intermediate Similarity NPC62051
0.7937 Intermediate Similarity NPC25127
0.7935 Intermediate Similarity NPC79627
0.7933 Intermediate Similarity NPC258502
0.7925 Intermediate Similarity NPC124842
0.7925 Intermediate Similarity NPC475579
0.7925 Intermediate Similarity NPC221249
0.7925 Intermediate Similarity NPC473773
0.7925 Intermediate Similarity NPC118427
0.7922 Intermediate Similarity NPC11314
0.7919 Intermediate Similarity NPC477139
0.7911 Intermediate Similarity NPC280753
0.7911 Intermediate Similarity NPC478219
0.7911 Intermediate Similarity NPC44378
0.7911 Intermediate Similarity NPC327962
0.7908 Intermediate Similarity NPC78987
0.7908 Intermediate Similarity NPC82336
0.7908 Intermediate Similarity NPC27518
0.7908 Intermediate Similarity NPC304110
0.7904 Intermediate Similarity NPC476017
0.7904 Intermediate Similarity NPC266545
0.7904 Intermediate Similarity NPC202428
0.7902 Intermediate Similarity NPC86900
0.7898 Intermediate Similarity NPC5568
0.7898 Intermediate Similarity NPC10842
0.7895 Intermediate Similarity NPC475757
0.7895 Intermediate Similarity NPC416
0.7895 Intermediate Similarity NPC474640
0.7895 Intermediate Similarity NPC61398
0.7892 Intermediate Similarity NPC263212
0.7891 Intermediate Similarity NPC470747
0.7891 Intermediate Similarity NPC262819
0.7888 Intermediate Similarity NPC472807
0.7887 Intermediate Similarity NPC98305
0.7885 Intermediate Similarity NPC30890
0.7881 Intermediate Similarity NPC474311
0.7879 Intermediate Similarity NPC476822
0.7877 Intermediate Similarity NPC72667
0.7875 Intermediate Similarity NPC105942
0.7875 Intermediate Similarity NPC205392
0.7871 Intermediate Similarity NPC478164
0.7871 Intermediate Similarity NPC46880
0.7871 Intermediate Similarity NPC474692
0.7871 Intermediate Similarity NPC469615
0.7867 Intermediate Similarity NPC194970
0.7866 Intermediate Similarity NPC477627
0.7866 Intermediate Similarity NPC266365
0.7857 Intermediate Similarity NPC475058
0.7853 Intermediate Similarity NPC314795
0.7852 Intermediate Similarity NPC144257
0.7852 Intermediate Similarity NPC50763
0.7852 Intermediate Similarity NPC477406
0.7848 Intermediate Similarity NPC474903
0.7847 Intermediate Similarity NPC325740
0.7843 Intermediate Similarity NPC474784
0.7843 Intermediate Similarity NPC472903
0.7838 Intermediate Similarity NPC108129
0.7838 Intermediate Similarity NPC471334
0.7836 Intermediate Similarity NPC469418
0.7834 Intermediate Similarity NPC136878
0.7834 Intermediate Similarity NPC477208
0.7834 Intermediate Similarity NPC470330
0.7831 Intermediate Similarity NPC472277
0.7826 Intermediate Similarity NPC287504
0.7826 Intermediate Similarity NPC474000
0.7826 Intermediate Similarity NPC475770
0.7821 Intermediate Similarity NPC271607
0.7821 Intermediate Similarity NPC280717
0.7821 Intermediate Similarity NPC469683
0.7821 Intermediate Similarity NPC29932
0.7821 Intermediate Similarity NPC126707

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC132810 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
0.8212 Intermediate Similarity NPD8166 Discontinued
0.7569 Intermediate Similarity NPD2932 Approved
0.75 Intermediate Similarity NPD943 Approved
0.75 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7448 Intermediate Similarity NPD3019 Approved
0.7443 Intermediate Similarity NPD8434 Phase 2
0.7439 Intermediate Similarity NPD1934 Approved
0.7438 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7434 Intermediate Similarity NPD6663 Approved
0.741 Intermediate Similarity NPD3882 Suspended
0.7405 Intermediate Similarity NPD4628 Phase 3
0.74 Intermediate Similarity NPD9494 Approved
0.74 Intermediate Similarity NPD5736 Approved
0.7386 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.736 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7289 Intermediate Similarity NPD2801 Approved
0.7267 Intermediate Similarity NPD1470 Approved
0.7267 Intermediate Similarity NPD7473 Discontinued
0.7256 Intermediate Similarity NPD7458 Discontinued
0.725 Intermediate Similarity NPD6190 Approved
0.7248 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7246 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7225 Intermediate Similarity NPD3818 Discontinued
0.7212 Intermediate Similarity NPD7028 Phase 2
0.7211 Intermediate Similarity NPD3412 Clinical (unspecified phase)
0.7205 Intermediate Similarity NPD3300 Phase 2
0.7197 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7197 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7181 Intermediate Similarity NPD3972 Approved
0.7178 Intermediate Similarity NPD6273 Approved
0.7176 Intermediate Similarity NPD5494 Approved
0.7161 Intermediate Similarity NPD3620 Phase 2
0.7161 Intermediate Similarity NPD3619 Clinical (unspecified phase)
0.7159 Intermediate Similarity NPD7685 Pre-registration
0.7151 Intermediate Similarity NPD8150 Discontinued
0.7135 Intermediate Similarity NPD8127 Discontinued
0.7115 Intermediate Similarity NPD230 Phase 1
0.7114 Intermediate Similarity NPD1201 Approved
0.711 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.711 Intermediate Similarity NPD6166 Phase 2
0.711 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7108 Intermediate Similarity NPD4380 Phase 2
0.7107 Intermediate Similarity NPD2344 Approved
0.7101 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7093 Intermediate Similarity NPD6232 Discontinued
0.7089 Intermediate Similarity NPD3299 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD7819 Suspended
0.7081 Intermediate Similarity NPD4109 Clinical (unspecified phase)
0.7081 Intermediate Similarity NPD4110 Phase 3
0.7059 Intermediate Similarity NPD7075 Discontinued
0.7055 Intermediate Similarity NPD405 Clinical (unspecified phase)
0.7055 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7055 Intermediate Similarity NPD1511 Approved
0.7047 Intermediate Similarity NPD3023 Approved
0.7047 Intermediate Similarity NPD3026 Approved
0.7045 Intermediate Similarity NPD7074 Phase 3
0.7042 Intermediate Similarity NPD3021 Approved
0.7042 Intermediate Similarity NPD3022 Approved
0.7032 Intermediate Similarity NPD3764 Approved
0.7027 Intermediate Similarity NPD3024 Approved
0.7027 Intermediate Similarity NPD4196 Clinical (unspecified phase)
0.7027 Intermediate Similarity NPD3025 Approved
0.7019 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD3092 Approved
0.7 Intermediate Similarity NPD1471 Phase 3
0.6994 Remote Similarity NPD7236 Approved
0.6989 Remote Similarity NPD7054 Approved
0.6982 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6981 Remote Similarity NPD2799 Discontinued
0.697 Remote Similarity NPD1512 Approved
0.6959 Remote Similarity NPD3091 Approved
0.6949 Remote Similarity NPD7472 Approved
0.6946 Remote Similarity NPD3455 Phase 2
0.6946 Remote Similarity NPD3226 Approved
0.6937 Remote Similarity NPD2935 Discontinued
0.6933 Remote Similarity NPD2309 Approved
0.6928 Remote Similarity NPD3094 Phase 2
0.6919 Remote Similarity NPD6234 Discontinued
0.6905 Remote Similarity NPD6599 Discontinued
0.6902 Remote Similarity NPD7879 Clinical (unspecified phase)
0.6894 Remote Similarity NPD2346 Discontinued
0.6893 Remote Similarity NPD5844 Phase 1
0.6889 Remote Similarity NPD3534 Clinical (unspecified phase)
0.6882 Remote Similarity NPD5761 Phase 2
0.6882 Remote Similarity NPD5760 Phase 2
0.6879 Remote Similarity NPD8032 Phase 2
0.6875 Remote Similarity NPD1510 Phase 2
0.6872 Remote Similarity NPD7251 Discontinued
0.6871 Remote Similarity NPD7003 Approved
0.6863 Remote Similarity NPD1876 Approved
0.6859 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6852 Remote Similarity NPD1549 Phase 2
0.6848 Remote Similarity NPD7390 Discontinued
0.6842 Remote Similarity NPD9269 Phase 2
0.6842 Remote Similarity NPD3817 Phase 2
0.6833 Remote Similarity NPD7808 Phase 3
0.6832 Remote Similarity NPD5405 Approved
0.6832 Remote Similarity NPD6099 Approved
0.6832 Remote Similarity NPD6100 Approved
0.6832 Remote Similarity NPD5408 Approved
0.6832 Remote Similarity NPD5404 Approved
0.6832 Remote Similarity NPD5406 Approved
0.6829 Remote Similarity NPD7910 Clinical (unspecified phase)
0.6816 Remote Similarity NPD7993 Clinical (unspecified phase)
0.6816 Remote Similarity NPD6797 Phase 2
0.681 Remote Similarity NPD2800 Approved
0.6807 Remote Similarity NPD2532 Approved
0.6807 Remote Similarity NPD2534 Approved
0.6807 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6807 Remote Similarity NPD2533 Approved
0.6803 Remote Similarity NPD2629 Approved
0.6796 Remote Similarity NPD8313 Approved
0.6796 Remote Similarity NPD8312 Approved
0.6792 Remote Similarity NPD6355 Discontinued
0.679 Remote Similarity NPD1550 Clinical (unspecified phase)
0.679 Remote Similarity NPD7266 Discontinued
0.679 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6786 Remote Similarity NPD7239 Suspended
0.6779 Remote Similarity NPD5536 Phase 2
0.6774 Remote Similarity NPD2798 Approved
0.6768 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6765 Remote Similarity NPD7411 Suspended
0.6763 Remote Similarity NPD4381 Clinical (unspecified phase)
0.6759 Remote Similarity NPD4141 Clinical (unspecified phase)
0.6755 Remote Similarity NPD3095 Discontinued
0.6752 Remote Similarity NPD7095 Approved
0.675 Remote Similarity NPD6651 Approved
0.675 Remote Similarity NPD1607 Approved
0.6748 Remote Similarity NPD970 Clinical (unspecified phase)
0.6744 Remote Similarity NPD5977 Approved
0.6744 Remote Similarity NPD5978 Approved
0.6743 Remote Similarity NPD6959 Discontinued
0.6742 Remote Similarity NPD7228 Approved
0.674 Remote Similarity NPD4338 Clinical (unspecified phase)
0.6737 Remote Similarity NPD7501 Clinical (unspecified phase)
0.6733 Remote Similarity NPD9545 Approved
0.673 Remote Similarity NPD1240 Approved
0.6728 Remote Similarity NPD2796 Approved
0.6726 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6725 Remote Similarity NPD6801 Discontinued
0.6725 Remote Similarity NPD37 Approved
0.6723 Remote Similarity NPD7852 Clinical (unspecified phase)
0.6712 Remote Similarity NPD1609 Clinical (unspecified phase)
0.6707 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6705 Remote Similarity NPD4965 Approved
0.6705 Remote Similarity NPD4967 Phase 2
0.6705 Remote Similarity NPD4966 Approved
0.6704 Remote Similarity NPD7804 Clinical (unspecified phase)
0.6687 Remote Similarity NPD5735 Approved
0.6687 Remote Similarity NPD447 Suspended
0.6686 Remote Similarity NPD1465 Phase 2
0.6685 Remote Similarity NPD6559 Discontinued
0.6685 Remote Similarity NPD6764 Approved
0.6685 Remote Similarity NPD6765 Approved
0.6685 Remote Similarity NPD8368 Discontinued
0.6667 Remote Similarity NPD6873 Phase 2
0.6667 Remote Similarity NPD8407 Phase 2
0.6667 Remote Similarity NPD7961 Discontinued
0.6667 Remote Similarity NPD3926 Phase 2
0.6648 Remote Similarity NPD7799 Discontinued
0.6648 Remote Similarity NPD5026 Approved
0.6648 Remote Similarity NPD36 Approved
0.6648 Remote Similarity NPD4954 Approved
0.6648 Remote Similarity NPD5034 Approved
0.6648 Remote Similarity NPD5028 Approved
0.6648 Remote Similarity NPD7893 Clinical (unspecified phase)
0.6648 Remote Similarity NPD1247 Approved
0.6648 Remote Similarity NPD4955 Approved
0.6647 Remote Similarity NPD6799 Approved
0.6647 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6645 Remote Similarity NPD1283 Approved
0.6645 Remote Similarity NPD4059 Approved
0.6629 Remote Similarity NPD5537 Clinical (unspecified phase)
0.6626 Remote Similarity NPD2438 Suspended
0.6625 Remote Similarity NPD826 Approved
0.6625 Remote Similarity NPD825 Approved
0.6625 Remote Similarity NPD4140 Approved
0.6625 Remote Similarity NPD4060 Phase 1
0.6621 Remote Similarity NPD6831 Clinical (unspecified phase)
0.6612 Remote Similarity NPD5035 Approved
0.6609 Remote Similarity NPD7768 Phase 2
0.6607 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6604 Remote Similarity NPD3268 Approved
0.6604 Remote Similarity NPD2313 Discontinued
0.6603 Remote Similarity NPD1164 Approved
0.6601 Remote Similarity NPD7457 Clinical (unspecified phase)
0.6601 Remote Similarity NPD7907 Approved
0.6593 Remote Similarity NPD5030 Phase 2
0.6581 Remote Similarity NPD5327 Phase 3
0.658 Remote Similarity NPD2491 Approved
0.6579 Remote Similarity NPD1651 Approved
0.6579 Remote Similarity NPD9268 Approved
0.6578 Remote Similarity NPD2490 Approved
0.6578 Remote Similarity NPD2488 Approved
0.6577 Remote Similarity NPD5951 Approved
0.6571 Remote Similarity NPD3749 Approved
0.657 Remote Similarity NPD6385 Approved
0.657 Remote Similarity NPD6386 Approved
0.6566 Remote Similarity NPD3750 Approved
0.6561 Remote Similarity NPD5647 Approved

Structure

External Identifiers

PubChem CID   46209650
ChEMBL   CHEMBL1098253
ZINC  

Physicochemical Properties

Molecular Weight:  618.36
ALogP:  2.5543
MLogP:  4.87
XLogP:  7.82
# Rotatable Bonds:  22
Polar Surface Area:  121.13
# H-Bond Aceptor:  5
# H-Bond Donor:  3
# Rings:  4
# Heavy Atoms:  45

Download Data

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General Info & Identifiers & Properties  
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Biological Activities  
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