Natural Product: NPC118128

Natural Product ID:  NPC118128
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C30H38O7
Standard InCHIKey:  CYCOTPYFFAELQE-LPWNCNQKSA-N
Standard InCHI:  InChI=1S/C30H38O7/c1-10-27(4,5)21-17(31)14-18(34-8)20-23(32)22-24(35-9)16-13-19-28(6,7)37-29(26(16)33,12-11-15(2)3)30(19,22)36-25(20)21/h10-11,14,16,19,22,24,31H,1,12-13H2,2-9H3/t16-,19-,22-,24+,29-,30-/m0/s1
Canonical SMILES:  CO[C@@H]1[C@@H]2C[C@@H]3[C@]4([C@H]1C(=O)c1c(OC)cc(c(c1O4)C(C=C)(C)C)O)[C@@](C2=O)(CC=C(C)C)OC3(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
NPO21229 Garcinia bracteata Species Clusiaceae Eukaryota PMID[10785410]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT91 Cell Line KB Homo sapiens IC50 = 1.5 ug/ml 10.6019/CHEMBL1201861
NPT2 Others Unspecified Activity > 10 ug/ml 21332115

  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 NPC118128 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
0.9455 High Similarity NPC475080
0.9448 High Similarity NPC193222
0.9387 High Similarity NPC476056
0.9387 High Similarity NPC62444
0.9277 High Similarity NPC169018
0.9268 High Similarity NPC476255
0.9264 High Similarity NPC476931
0.9231 High Similarity NPC473729
0.9222 High Similarity NPC476311
0.9202 High Similarity NPC475106
0.9202 High Similarity NPC94796
0.9172 High Similarity NPC476210
0.9172 High Similarity NPC476199
0.9157 High Similarity NPC63514
0.9152 High Similarity NPC475109
0.9141 High Similarity NPC476929
0.9118 High Similarity NPC473607
0.9112 High Similarity NPC98943
0.908 High Similarity NPC43490
0.908 High Similarity NPC475107
0.9059 High Similarity NPC233978
0.9053 High Similarity NPC475398
0.9048 High Similarity NPC476159
0.9012 High Similarity NPC164427
0.9 High Similarity NPC227275
0.8994 High Similarity NPC476152
0.8988 High Similarity NPC315306
0.8988 High Similarity NPC313717
0.8988 High Similarity NPC476196
0.8982 High Similarity NPC223413
0.8976 High Similarity NPC314653
0.8976 High Similarity NPC316262
0.8963 High Similarity NPC286422
0.8951 High Similarity NPC471116
0.8941 High Similarity NPC162248
0.8935 High Similarity NPC477529
0.8916 High Similarity NPC131578
0.8902 High Similarity NPC125969
0.8889 High Similarity NPC236756
0.8889 High Similarity NPC478050
0.8889 High Similarity NPC100134
0.8889 High Similarity NPC311579
0.8889 High Similarity NPC209760
0.8882 High Similarity NPC470675
0.8882 High Similarity NPC473131
0.8882 High Similarity NPC469393
0.8882 High Similarity NPC476229
0.8882 High Similarity NPC476139
0.8869 High Similarity NPC150131
0.8855 High Similarity NPC472402
0.8848 High Similarity NPC470810
0.8841 High Similarity NPC196448
0.8834 High Similarity NPC476169
0.8827 High Similarity NPC210597
0.8817 High Similarity NPC40089
0.8817 High Similarity NPC165456
0.8817 High Similarity NPC54903
0.8817 High Similarity NPC158329
0.8817 High Similarity NPC152477
0.8817 High Similarity NPC286074
0.8817 High Similarity NPC476146
0.8817 High Similarity NPC41598
0.8817 High Similarity NPC288813
0.881 High Similarity NPC469394
0.881 High Similarity NPC82330
0.8802 High Similarity NPC472581
0.8802 High Similarity NPC469395
0.8802 High Similarity NPC273959
0.8793 High Similarity NPC182693
0.8793 High Similarity NPC475148
0.8793 High Similarity NPC475656
0.8788 High Similarity NPC472617
0.878 High Similarity NPC20530
0.878 High Similarity NPC215917
0.878 High Similarity NPC10754
0.8765 High Similarity NPC279209
0.8765 High Similarity NPC46564
0.8765 High Similarity NPC472276
0.8765 High Similarity NPC207346
0.8765 High Similarity NPC305965
0.8765 High Similarity NPC102277
0.8765 High Similarity NPC472636
0.8758 High Similarity NPC471114
0.8757 High Similarity NPC472622
0.8757 High Similarity NPC225419
0.875 High Similarity NPC189689
0.875 High Similarity NPC472277
0.875 High Similarity NPC473286
0.875 High Similarity NPC62261
0.8735 High Similarity NPC313368
0.8735 High Similarity NPC172687
0.8735 High Similarity NPC472618
0.8727 High Similarity NPC476930
0.8727 High Similarity NPC282390
0.8727 High Similarity NPC281137
0.8727 High Similarity NPC272196
0.8727 High Similarity NPC161650
0.8721 High Similarity NPC294149
0.872 High Similarity NPC48579
0.872 High Similarity NPC217706
0.872 High Similarity NPC304207
0.872 High Similarity NPC207809
0.872 High Similarity NPC175192
0.872 High Similarity NPC259710
0.8713 High Similarity NPC121333
0.8713 High Similarity NPC472620
0.8712 High Similarity NPC216035
0.8712 High Similarity NPC138288
0.8712 High Similarity NPC477957
0.8712 High Similarity NPC473996
0.8712 High Similarity NPC217149
0.8706 High Similarity NPC242395
0.8706 High Similarity NPC75141
0.8706 High Similarity NPC47634
0.8706 High Similarity NPC476216
0.8706 High Similarity NPC55422
0.8706 High Similarity NPC102810
0.8704 High Similarity NPC471115
0.8704 High Similarity NPC476185
0.8704 High Similarity NPC29777
0.8704 High Similarity NPC321896
0.8698 High Similarity NPC472621
0.8698 High Similarity NPC120857
0.8698 High Similarity NPC173292
0.8698 High Similarity NPC170245
0.8698 High Similarity NPC128293
0.8698 High Similarity NPC85047
0.8698 High Similarity NPC17274
0.8698 High Similarity NPC120593
0.8696 High Similarity NPC145467
0.869 High Similarity NPC472281
0.869 High Similarity NPC12461
0.869 High Similarity NPC473313
0.869 High Similarity NPC329669
0.869 High Similarity NPC109180
0.869 High Similarity NPC473009
0.869 High Similarity NPC18100
0.869 High Similarity NPC472278
0.869 High Similarity NPC100849
0.869 High Similarity NPC205265
0.869 High Similarity NPC476295
0.8683 High Similarity NPC474187
0.8683 High Similarity NPC478134
0.8683 High Similarity NPC474186
0.8683 High Similarity NPC187354
0.8683 High Similarity NPC3629
0.8678 High Similarity NPC244903
0.8678 High Similarity NPC104682
0.8678 High Similarity NPC476273
0.8675 High Similarity NPC311574
0.8675 High Similarity NPC264932
0.8667 High Similarity NPC146636
0.8667 High Similarity NPC192587
0.8663 High Similarity NPC471969
0.8659 High Similarity NPC293286
0.8659 High Similarity NPC20907
0.8659 High Similarity NPC203080
0.8659 High Similarity NPC244250
0.8659 High Similarity NPC248793
0.8659 High Similarity NPC180301
0.865 High Similarity NPC278476
0.865 High Similarity NPC254412
0.865 High Similarity NPC262038
0.865 High Similarity NPC178484
0.865 High Similarity NPC471677
0.865 High Similarity NPC471675
0.865 High Similarity NPC471229
0.865 High Similarity NPC262039
0.865 High Similarity NPC472580
0.865 High Similarity NPC319910
0.8647 High Similarity NPC476306
0.8647 High Similarity NPC476459
0.8647 High Similarity NPC218226
0.8642 High Similarity NPC473016
0.8642 High Similarity NPC277032
0.8639 High Similarity NPC25361
0.8639 High Similarity NPC293319
0.8639 High Similarity NPC234052
0.8639 High Similarity NPC326520
0.8639 High Similarity NPC224280
0.8639 High Similarity NPC472049
0.8639 High Similarity NPC473010
0.8636 High Similarity NPC476170
0.8634 High Similarity NPC10990
0.8634 High Similarity NPC300988
0.8634 High Similarity NPC308200
0.8631 High Similarity NPC478229
0.8631 High Similarity NPC229632
0.8631 High Similarity NPC211107
0.8631 High Similarity NPC219861
0.8631 High Similarity NPC474150
0.8631 High Similarity NPC473961
0.8631 High Similarity NPC206605
0.8631 High Similarity NPC473012
0.8631 High Similarity NPC474162
0.8629 High Similarity NPC208069
0.8625 High Similarity NPC470674
0.8625 High Similarity NPC117716
0.8625 High Similarity NPC470673
0.8623 High Similarity NPC299436

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC118128 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
0.872 High Similarity NPD8443 Clinical (unspecified phase)
0.8512 High Similarity NPD5494 Approved
0.8503 High Similarity NPD7075 Discontinued
0.8434 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.8434 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.8395 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.8333 Intermediate Similarity NPD3882 Suspended
0.8314 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.8314 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.8314 Intermediate Similarity NPD6166 Phase 2
0.8276 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.8263 Intermediate Similarity NPD1934 Approved
0.8253 Intermediate Similarity NPD4380 Phase 2
0.8246 Intermediate Similarity NPD6959 Discontinued
0.8204 Intermediate Similarity NPD7411 Suspended
0.8161 Intermediate Similarity NPD7473 Discontinued
0.8144 Intermediate Similarity NPD6599 Discontinued
0.8111 Intermediate Similarity NPD8434 Phase 2
0.8107 Intermediate Similarity NPD2801 Approved
0.8107 Intermediate Similarity NPD7819 Suspended
0.8086 Intermediate Similarity NPD2800 Approved
0.8075 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.8075 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.8068 Intermediate Similarity NPD5844 Phase 1
0.8061 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.8047 Intermediate Similarity NPD6801 Discontinued
0.8035 Intermediate Similarity NPD1247 Approved
0.8034 Intermediate Similarity NPD7251 Discontinued
0.8033 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.8025 Intermediate Similarity NPD1549 Phase 2
0.8 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7989 Intermediate Similarity NPD6232 Discontinued
0.7989 Intermediate Similarity NPD7808 Phase 3
0.7989 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7978 Intermediate Similarity NPD6797 Phase 2
0.7965 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7965 Intermediate Similarity NPD3749 Approved
0.7953 Intermediate Similarity NPD3817 Phase 2
0.7952 Intermediate Similarity NPD2532 Approved
0.7952 Intermediate Similarity NPD2533 Approved
0.7952 Intermediate Similarity NPD2534 Approved
0.7921 Intermediate Similarity NPD7074 Phase 3
0.791 Intermediate Similarity NPD3818 Discontinued
0.7907 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7904 Intermediate Similarity NPD1512 Approved
0.7901 Intermediate Similarity NPD6100 Approved
0.7901 Intermediate Similarity NPD6099 Approved
0.7892 Intermediate Similarity NPD6799 Approved
0.7865 Intermediate Similarity NPD7054 Approved
0.7857 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7849 Intermediate Similarity NPD5402 Approved
0.7833 Intermediate Similarity NPD6559 Discontinued
0.7821 Intermediate Similarity NPD7472 Approved
0.7809 Intermediate Similarity NPD3751 Discontinued
0.7803 Intermediate Similarity NPD7768 Phase 2
0.7791 Intermediate Similarity NPD2796 Approved
0.7784 Intermediate Similarity NPD3787 Discontinued
0.7784 Intermediate Similarity NPD1511 Approved
0.773 Intermediate Similarity NPD1510 Phase 2
0.7717 Intermediate Similarity NPD8150 Discontinued
0.7697 Intermediate Similarity NPD2403 Approved
0.7688 Intermediate Similarity NPD5760 Phase 2
0.7688 Intermediate Similarity NPD5761 Phase 2
0.768 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7661 Intermediate Similarity NPD3226 Approved
0.7651 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7647 Intermediate Similarity NPD5403 Approved
0.7617 Intermediate Similarity NPD7435 Discontinued
0.7614 Intermediate Similarity NPD919 Approved
0.7614 Intermediate Similarity NPD5537 Clinical (unspecified phase)
0.7607 Intermediate Similarity NPD6651 Approved
0.7607 Intermediate Similarity NPD1607 Approved
0.7605 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7593 Intermediate Similarity NPD1240 Approved
0.759 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7554 Intermediate Similarity NPD8312 Approved
0.7554 Intermediate Similarity NPD8313 Approved
0.7552 Intermediate Similarity NPD6780 Approved
0.7552 Intermediate Similarity NPD6777 Approved
0.7552 Intermediate Similarity NPD6776 Approved
0.7552 Intermediate Similarity NPD6778 Approved
0.7552 Intermediate Similarity NPD6779 Approved
0.7552 Intermediate Similarity NPD6781 Approved
0.7552 Intermediate Similarity NPD6782 Approved
0.7542 Intermediate Similarity NPD3926 Phase 2
0.7529 Intermediate Similarity NPD5401 Approved
0.7529 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7526 Intermediate Similarity NPD7696 Phase 3
0.7526 Intermediate Similarity NPD7697 Approved
0.7526 Intermediate Similarity NPD7698 Approved
0.75 Intermediate Similarity NPD3750 Approved
0.75 Intermediate Similarity NPD4628 Phase 3
0.75 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7487 Intermediate Similarity NPD7870 Phase 2
0.7487 Intermediate Similarity NPD7871 Phase 2
0.7486 Intermediate Similarity NPD5711 Approved
0.7486 Intermediate Similarity NPD5710 Approved
0.7469 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7461 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7457 Intermediate Similarity NPD7458 Discontinued
0.7447 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7444 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7442 Intermediate Similarity NPD920 Approved
0.7429 Intermediate Similarity NPD37 Approved
0.7425 Intermediate Similarity NPD1471 Phase 3
0.7418 Intermediate Similarity NPD7228 Approved
0.7416 Intermediate Similarity NPD6234 Discontinued
0.741 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7401 Intermediate Similarity NPD4966 Approved
0.7401 Intermediate Similarity NPD4965 Approved
0.7401 Intermediate Similarity NPD4967 Phase 2
0.7396 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7389 Intermediate Similarity NPD7229 Phase 3
0.7387 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7387 Intermediate Similarity NPD7874 Approved
0.7386 Intermediate Similarity NPD1465 Phase 2
0.7374 Intermediate Similarity NPD7701 Phase 2
0.7368 Intermediate Similarity NPD7390 Discontinued
0.7365 Intermediate Similarity NPD2935 Discontinued
0.735 Intermediate Similarity NPD7801 Approved
0.7346 Intermediate Similarity NPD4908 Phase 1
0.7333 Intermediate Similarity NPD2494 Approved
0.7333 Intermediate Similarity NPD2493 Approved
0.7326 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7321 Intermediate Similarity NPD2346 Discontinued
0.7321 Intermediate Similarity NPD2344 Approved
0.731 Intermediate Similarity NPD4583 Approved
0.731 Intermediate Similarity NPD4582 Approved
0.7306 Intermediate Similarity NPD2973 Approved
0.7306 Intermediate Similarity NPD2975 Approved
0.7306 Intermediate Similarity NPD2974 Approved
0.7305 Intermediate Similarity NPD2799 Discontinued
0.7292 Intermediate Similarity NPD4363 Phase 3
0.7292 Intermediate Similarity NPD4360 Phase 2
0.7292 Intermediate Similarity NPD6535 Approved
0.7292 Intermediate Similarity NPD6534 Approved
0.7283 Intermediate Similarity NPD7286 Phase 2
0.7282 Intermediate Similarity NPD4580 Approved
0.7282 Intermediate Similarity NPD7907 Approved
0.7268 Intermediate Similarity NPD7699 Phase 2
0.7268 Intermediate Similarity NPD7700 Phase 2
0.7264 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7264 Intermediate Similarity NPD7783 Phase 2
0.7262 Intermediate Similarity NPD1551 Phase 2
0.7259 Intermediate Similarity NPD4002 Approved
0.7259 Intermediate Similarity NPD4004 Approved
0.7258 Intermediate Similarity NPD6765 Approved
0.7258 Intermediate Similarity NPD6764 Approved
0.7257 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7256 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7256 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.725 Intermediate Similarity NPD8151 Discontinued
0.7245 Intermediate Similarity NPD3452 Approved
0.7245 Intermediate Similarity NPD3450 Approved
0.7238 Intermediate Similarity NPD8127 Discontinued
0.7238 Intermediate Similarity NPD7199 Phase 2
0.7235 Intermediate Similarity NPD1243 Approved
0.7229 Intermediate Similarity NPD6355 Discontinued
0.7222 Intermediate Similarity NPD8319 Approved
0.7222 Intermediate Similarity NPD8320 Phase 1
0.7209 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7208 Intermediate Similarity NPD6823 Phase 2
0.7204 Intermediate Similarity NPD5953 Discontinued
0.7202 Intermediate Similarity NPD3748 Approved
0.7184 Intermediate Similarity NPD4665 Approved
0.7184 Intermediate Similarity NPD6273 Approved
0.7184 Intermediate Similarity NPD4111 Phase 1
0.7175 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7151 Intermediate Similarity NPD2309 Approved
0.7151 Intermediate Similarity NPD6190 Approved
0.7143 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7135 Intermediate Similarity NPD2488 Approved
0.7135 Intermediate Similarity NPD7893 Clinical (unspecified phase)
0.7135 Intermediate Similarity NPD2490 Approved
0.7126 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7126 Intermediate Similarity NPD5124 Phase 1
0.711 Intermediate Similarity NPD7236 Approved
0.7105 Intermediate Similarity NPD6785 Approved
0.7105 Intermediate Similarity NPD6784 Approved
0.7101 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7093 Intermediate Similarity NPD7003 Approved
0.7093 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7091 Intermediate Similarity NPD4625 Phase 3
0.7083 Intermediate Similarity NPD4287 Approved
0.7077 Intermediate Similarity NPD4362 Clinical (unspecified phase)
0.7077 Intermediate Similarity NPD4361 Phase 2
0.7076 Intermediate Similarity NPD2424 Discontinued
0.7074 Intermediate Similarity NPD7240 Approved
0.7066 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7066 Intermediate Similarity NPD4060 Phase 1
0.7066 Intermediate Similarity NPD943 Approved
0.7066 Intermediate Similarity NPD1613 Approved
0.7065 Intermediate Similarity NPD7584 Approved
0.7056 Intermediate Similarity NPD8285 Discontinued
0.7048 Intermediate Similarity NPD2313 Discontinued
0.7048 Intermediate Similarity NPD6798 Discontinued
0.7048 Intermediate Similarity NPD3268 Approved
0.7043 Intermediate Similarity NPD7799 Discontinued
0.7033 Intermediate Similarity NPD8155 Clinical (unspecified phase)
0.7029 Intermediate Similarity NPD7422 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   44583736
ChEMBL   CHEMBL525581
ZINC  

Physicochemical Properties

Molecular Weight:  510.26
ALogP:  1.2814
MLogP:  3.99
XLogP:  2.969
# Rotatable Bonds:  15
Polar Surface Area:  91.29
# H-Bond Aceptor:  4
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  37

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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