Natural Product: NPC471975

Natural Product ID:  NPC471975
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C38H48O6
Standard InCHIKey:  HYNZAJHRFWJBPW-IVQHQZAFSA-N
Standard InCHI:  InChI=1S/C38H48O6/c1-21(2)11-13-25(24(7)8)19-37-20-26(14-12-22(3)4)36(9,10)38(35(37)43,16-15-23(5)6)33(42)31-32(41)27-17-28(39)29(40)18-30(27)44-34(31)37/h11-12,15,17-18,25-26,39-40H,7,13-14,16,19-20H2,1-6,8-10H3/t25?,26-,37-,38+/m0/s1
Canonical SMILES:  CC(=CC[C@@]12C(=O)c3c(=O)c4cc(O)c(cc4oc3[C@](C1=O)(CC(C(=C)C)CC=C(C)C)C[C@@H](C2(C)C)CC=C(C)C)O)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
NPO32711 garcinia esculenta Species Clusiaceae Eukaryota Twigs PMID[24960143]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT83 Cell Line MCF7 Homo sapiens IC50 > 10000 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 > 10000 nM 24033131
NPT82 Cell Line MDA-MB-231 Homo sapiens IC50 > 10000 nM 25010936
NPT65 Cell Line HepG2 Homo sapiens IC50 > 10000 nM 17346076
NPT113 Cell Line RAW264.7 Mus musculus IC50 = 17000 nM 19199790

  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 NPC471975 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
1.0 High Similarity NPC470374
1.0 High Similarity NPC470377
1.0 High Similarity NPC478060
1.0 High Similarity NPC478059
0.9752 High Similarity NPC471969
0.9313 High Similarity NPC278427
0.9187 High Similarity NPC197856
0.9136 High Similarity NPC470694
0.9108 High Similarity NPC48949
0.9074 High Similarity NPC472275
0.9068 High Similarity NPC172770
0.9068 High Similarity NPC185258
0.9068 High Similarity NPC46736
0.9057 High Similarity NPC476631
0.903 High Similarity NPC126204
0.9024 High Similarity NPC156432
0.9018 High Similarity NPC329760
0.9012 High Similarity NPC119224
0.9012 High Similarity NPC297212
0.9012 High Similarity NPC45146
0.9012 High Similarity NPC235018
0.9012 High Similarity NPC476280
0.9006 High Similarity NPC236796
0.9006 High Similarity NPC79053
0.8994 High Similarity NPC249570
0.8963 High Similarity NPC303460
0.8963 High Similarity NPC207690
0.8963 High Similarity NPC306321
0.8957 High Similarity NPC258331
0.8957 High Similarity NPC32694
0.8944 High Similarity NPC142339
0.8938 High Similarity NPC477047
0.8938 High Similarity NPC477048
0.8938 High Similarity NPC89474
0.8902 High Similarity NPC206605
0.8896 High Similarity NPC80375
0.8896 High Similarity NPC320359
0.8889 High Similarity NPC476630
0.8889 High Similarity NPC218871
0.8882 High Similarity NPC113906
0.8882 High Similarity NPC23553
0.8882 High Similarity NPC77179
0.8862 High Similarity NPC476637
0.8855 High Similarity NPC37870
0.8855 High Similarity NPC469394
0.8855 High Similarity NPC39091
0.8848 High Similarity NPC476295
0.8848 High Similarity NPC472278
0.8848 High Similarity NPC270837
0.8848 High Similarity NPC236132
0.8848 High Similarity NPC220313
0.8848 High Similarity NPC473313
0.8848 High Similarity NPC12461
0.8848 High Similarity NPC329669
0.8848 High Similarity NPC189473
0.8848 High Similarity NPC23298
0.8841 High Similarity NPC234644
0.8841 High Similarity NPC167678
0.8841 High Similarity NPC259456
0.8841 High Similarity NPC278052
0.8841 High Similarity NPC29876
0.8841 High Similarity NPC40491
0.8837 High Similarity NPC246153
0.8834 High Similarity NPC100123
0.8834 High Similarity NPC469658
0.883 High Similarity NPC476273
0.8827 High Similarity NPC470762
0.8827 High Similarity NPC475799
0.8827 High Similarity NPC138243
0.8827 High Similarity NPC474167
0.8827 High Similarity NPC274730
0.8827 High Similarity NPC3980
0.8827 High Similarity NPC13779
0.8827 High Similarity NPC276444
0.8824 High Similarity NPC478050
0.8812 High Similarity NPC202157
0.881 High Similarity NPC101107
0.8795 High Similarity NPC473286
0.8795 High Similarity NPC239752
0.8795 High Similarity NPC275780
0.8795 High Similarity NPC472450
0.8788 High Similarity NPC472448
0.8788 High Similarity NPC83922
0.8788 High Similarity NPC294965
0.8788 High Similarity NPC25152
0.878 High Similarity NPC204290
0.878 High Similarity NPC228785
0.878 High Similarity NPC28241
0.878 High Similarity NPC200746
0.878 High Similarity NPC476980
0.878 High Similarity NPC188433
0.878 High Similarity NPC14353
0.878 High Similarity NPC139036
0.878 High Similarity NPC56085
0.8773 High Similarity NPC469584
0.8773 High Similarity NPC161960
0.8773 High Similarity NPC300727
0.8773 High Similarity NPC241904
0.8773 High Similarity NPC36852
0.8773 High Similarity NPC304008
0.8773 High Similarity NPC262286
0.8773 High Similarity NPC187745
0.8773 High Similarity NPC273843
0.8772 High Similarity NPC221820
0.8765 High Similarity NPC20830
0.8765 High Similarity NPC208197
0.8765 High Similarity NPC256612
0.8765 High Similarity NPC472048
0.8765 High Similarity NPC245975
0.875 High Similarity NPC184136
0.875 High Similarity NPC475805
0.875 High Similarity NPC3825
0.875 High Similarity NPC88804
0.8743 High Similarity NPC472449
0.8742 High Similarity NPC118726
0.8742 High Similarity NPC12367
0.8742 High Similarity NPC194856
0.8735 High Similarity NPC7483
0.8735 High Similarity NPC248638
0.8735 High Similarity NPC152659
0.8735 High Similarity NPC236521
0.8728 High Similarity NPC228209
0.8728 High Similarity NPC240508
0.8727 High Similarity NPC66288
0.8727 High Similarity NPC475883
0.8727 High Similarity NPC474351
0.8727 High Similarity NPC57715
0.8727 High Similarity NPC61010
0.8727 High Similarity NPC472906
0.872 High Similarity NPC476242
0.872 High Similarity NPC329091
0.872 High Similarity NPC474290
0.872 High Similarity NPC235448
0.8712 High Similarity NPC68093
0.8712 High Similarity NPC317383
0.8712 High Similarity NPC115853
0.8712 High Similarity NPC191146
0.8706 High Similarity NPC469393
0.8704 High Similarity NPC231018
0.8704 High Similarity NPC69394
0.8704 High Similarity NPC170492
0.8704 High Similarity NPC183878
0.8704 High Similarity NPC276409
0.8704 High Similarity NPC280937
0.8704 High Similarity NPC145379
0.8704 High Similarity NPC176775
0.8704 High Similarity NPC47781
0.8704 High Similarity NPC75279
0.8704 High Similarity NPC22519
0.8704 High Similarity NPC250822
0.8704 High Similarity NPC160951
0.8704 High Similarity NPC255350
0.8704 High Similarity NPC274327
0.8698 High Similarity NPC472276
0.8698 High Similarity NPC124470
0.8698 High Similarity NPC109827
0.8696 High Similarity NPC304295
0.8696 High Similarity NPC154345
0.8696 High Similarity NPC205046
0.8696 High Similarity NPC59162
0.869 High Similarity NPC476306
0.8686 High Similarity NPC240808
0.8679 High Similarity NPC207729
0.8679 High Similarity NPC239312
0.8679 High Similarity NPC275772
0.8679 High Similarity NPC130230
0.8675 High Similarity NPC78332
0.8675 High Similarity NPC81679
0.8675 High Similarity NPC474150
0.8675 High Similarity NPC229632
0.8675 High Similarity NPC474162
0.8675 High Similarity NPC261470
0.8667 High Similarity NPC475886
0.8667 High Similarity NPC246478
0.8667 High Similarity NPC474287
0.8667 High Similarity NPC476283
0.8667 High Similarity NPC471973
0.8663 High Similarity NPC207467
0.8659 High Similarity NPC218313
0.8659 High Similarity NPC179732
0.8659 High Similarity NPC180011
0.8659 High Similarity NPC472914
0.8659 High Similarity NPC222814
0.8659 High Similarity NPC476981
0.8659 High Similarity NPC474681
0.8659 High Similarity NPC472911
0.8659 High Similarity NPC472913
0.8659 High Similarity NPC129684
0.8659 High Similarity NPC472910
0.8659 High Similarity NPC245758
0.8659 High Similarity NPC165977
0.8659 High Similarity NPC78225
0.8659 High Similarity NPC217677
0.8659 High Similarity NPC237418
0.8659 High Similarity NPC181960
0.8659 High Similarity NPC219867
0.8659 High Similarity NPC96167
0.8659 High Similarity NPC299520
0.8655 High Similarity NPC289244
0.8655 High Similarity NPC227906

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC471975 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
0.8704 High Similarity NPD2801 Approved
0.8491 Intermediate Similarity NPD1511 Approved
0.8476 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.8385 Intermediate Similarity NPD1512 Approved
0.8303 Intermediate Similarity NPD1934 Approved
0.8225 Intermediate Similarity NPD5494 Approved
0.8204 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.8155 Intermediate Similarity NPD3882 Suspended
0.8125 Intermediate Similarity NPD2800 Approved
0.8098 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.8092 Intermediate Similarity NPD7473 Discontinued
0.8047 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.8046 Intermediate Similarity NPD3818 Discontinued
0.8036 Intermediate Similarity NPD7819 Suspended
0.8035 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.8035 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.8035 Intermediate Similarity NPD6166 Phase 2
0.8 Intermediate Similarity NPD7054 Approved
0.7988 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7964 Intermediate Similarity NPD4380 Phase 2
0.7955 Intermediate Similarity NPD7472 Approved
0.7955 Intermediate Similarity NPD7074 Phase 3
0.7937 Intermediate Similarity NPD6099 Approved
0.7937 Intermediate Similarity NPD6100 Approved
0.7929 Intermediate Similarity NPD1465 Phase 2
0.7921 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7919 Intermediate Similarity NPD6232 Discontinued
0.7898 Intermediate Similarity NPD5844 Phase 1
0.7882 Intermediate Similarity NPD3817 Phase 2
0.7865 Intermediate Similarity NPD7251 Discontinued
0.7861 Intermediate Similarity NPD6959 Discontinued
0.7853 Intermediate Similarity NPD3750 Approved
0.7853 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.784 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7821 Intermediate Similarity NPD7808 Phase 3
0.7811 Intermediate Similarity NPD7411 Suspended
0.7809 Intermediate Similarity NPD6797 Phase 2
0.7791 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7791 Intermediate Similarity NPD7075 Discontinued
0.7764 Intermediate Similarity NPD1510 Phase 2
0.776 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7759 Intermediate Similarity NPD1247 Approved
0.7751 Intermediate Similarity NPD6599 Discontinued
0.775 Intermediate Similarity NPD6651 Approved
0.7736 Intermediate Similarity NPD943 Approved
0.773 Intermediate Similarity NPD1549 Phase 2
0.7727 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7719 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7716 Intermediate Similarity NPD2796 Approved
0.7709 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7697 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7692 Intermediate Similarity NPD3226 Approved
0.7674 Intermediate Similarity NPD5402 Approved
0.7669 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7669 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7665 Intermediate Similarity NPD2533 Approved
0.7665 Intermediate Similarity NPD2534 Approved
0.7665 Intermediate Similarity NPD2532 Approved
0.765 Intermediate Similarity NPD8434 Phase 2
0.764 Intermediate Similarity NPD1607 Approved
0.763 Intermediate Similarity NPD7768 Phase 2
0.7625 Intermediate Similarity NPD1240 Approved
0.7586 Intermediate Similarity NPD3749 Approved
0.7558 Intermediate Similarity NPD6801 Discontinued
0.7546 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7546 Intermediate Similarity NPD3748 Approved
0.7546 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD6799 Approved
0.75 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD2935 Discontinued
0.7487 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7472 Intermediate Similarity NPD3926 Phase 2
0.7469 Intermediate Similarity NPD230 Phase 1
0.7425 Intermediate Similarity NPD8166 Discontinued
0.7396 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7396 Intermediate Similarity NPD7390 Discontinued
0.7377 Intermediate Similarity NPD6559 Discontinued
0.7365 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7349 Intermediate Similarity NPD2344 Approved
0.7349 Intermediate Similarity NPD2346 Discontinued
0.7345 Intermediate Similarity NPD6234 Discontinued
0.7333 Intermediate Similarity NPD2799 Discontinued
0.7321 Intermediate Similarity NPD4628 Phase 3
0.7312 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7297 Intermediate Similarity NPD8312 Approved
0.7297 Intermediate Similarity NPD8313 Approved
0.7273 Intermediate Similarity NPD8150 Discontinued
0.7267 Intermediate Similarity NPD5403 Approved
0.7267 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7262 Intermediate Similarity NPD1243 Approved
0.7256 Intermediate Similarity NPD447 Suspended
0.7253 Intermediate Similarity NPD7228 Approved
0.7253 Intermediate Similarity NPD3751 Discontinued
0.7251 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7247 Intermediate Similarity NPD919 Approved
0.7186 Intermediate Similarity NPD1551 Phase 2
0.7178 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7178 Intermediate Similarity NPD3268 Approved
0.7178 Intermediate Similarity NPD2313 Discontinued
0.7176 Intermediate Similarity NPD2309 Approved
0.7168 Intermediate Similarity NPD920 Approved
0.7167 Intermediate Similarity NPD8127 Discontinued
0.7159 Intermediate Similarity NPD37 Approved
0.7151 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7151 Intermediate Similarity NPD5401 Approved
0.7143 Intermediate Similarity NPD2403 Approved
0.7143 Intermediate Similarity NPD1471 Phase 3
0.7135 Intermediate Similarity NPD4966 Approved
0.7135 Intermediate Similarity NPD4967 Phase 2
0.7135 Intermediate Similarity NPD4965 Approved
0.7127 Intermediate Similarity NPD5710 Approved
0.7127 Intermediate Similarity NPD5711 Approved
0.712 Intermediate Similarity NPD7286 Phase 2
0.7119 Intermediate Similarity NPD5761 Phase 2
0.7119 Intermediate Similarity NPD5760 Phase 2
0.7118 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.71 Intermediate Similarity NPD8151 Discontinued
0.7097 Intermediate Similarity NPD7685 Pre-registration
0.7091 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7091 Intermediate Similarity NPD1613 Approved
0.7086 Intermediate Similarity NPD7458 Discontinued
0.7073 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7072 Intermediate Similarity NPD7199 Phase 2
0.7069 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7063 Intermediate Similarity NPD4749 Approved
0.7056 Intermediate Similarity NPD5537 Clinical (unspecified phase)
0.7053 Intermediate Similarity NPD7907 Approved
0.7052 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7052 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7043 Intermediate Similarity NPD5953 Discontinued
0.7041 Intermediate Similarity NPD6777 Approved
0.7041 Intermediate Similarity NPD6779 Approved
0.7041 Intermediate Similarity NPD6780 Approved
0.7041 Intermediate Similarity NPD6778 Approved
0.7041 Intermediate Similarity NPD6781 Approved
0.7041 Intermediate Similarity NPD6776 Approved
0.7041 Intermediate Similarity NPD6782 Approved
0.7037 Intermediate Similarity NPD2798 Approved
0.7035 Intermediate Similarity NPD3300 Phase 2
0.7033 Intermediate Similarity NPD3787 Discontinued
0.7029 Intermediate Similarity NPD1653 Approved
0.702 Intermediate Similarity NPD7696 Phase 3
0.702 Intermediate Similarity NPD7698 Approved
0.702 Intermediate Similarity NPD7697 Approved
0.702 Intermediate Similarity NPD7435 Discontinued
0.7 Intermediate Similarity NPD9269 Phase 2
0.6995 Remote Similarity NPD7184 Clinical (unspecified phase)
0.6985 Remote Similarity NPD7870 Phase 2
0.6985 Remote Similarity NPD7871 Phase 2
0.6983 Remote Similarity NPD4288 Approved
0.6975 Remote Similarity NPD1470 Approved
0.6974 Remote Similarity NPD8090 Clinical (unspecified phase)
0.697 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6966 Remote Similarity NPD6844 Discontinued
0.6965 Remote Similarity NPD7701 Phase 2
0.6959 Remote Similarity NPD4363 Phase 3
0.6959 Remote Similarity NPD4360 Phase 2
0.6957 Remote Similarity NPD4111 Phase 1
0.6957 Remote Similarity NPD4665 Approved
0.6951 Remote Similarity NPD4908 Phase 1
0.6946 Remote Similarity NPD7801 Approved
0.6946 Remote Similarity NPD7783 Phase 2
0.6946 Remote Similarity NPD7782 Clinical (unspecified phase)
0.694 Remote Similarity NPD7229 Phase 3
0.6936 Remote Similarity NPD643 Clinical (unspecified phase)
0.6933 Remote Similarity NPD6917 Clinical (unspecified phase)
0.6919 Remote Similarity NPD7003 Approved
0.6914 Remote Similarity NPD6273 Approved
0.6909 Remote Similarity NPD4625 Phase 3
0.6909 Remote Similarity NPD3027 Phase 3
0.6897 Remote Similarity NPD7874 Approved
0.6897 Remote Similarity NPD7875 Clinical (unspecified phase)
0.6894 Remote Similarity NPD3972 Approved
0.6893 Remote Similarity NPD5808 Clinical (unspecified phase)
0.689 Remote Similarity NPD9494 Approved
0.6884 Remote Similarity NPD6823 Phase 2
0.6882 Remote Similarity NPD5405 Approved
0.6882 Remote Similarity NPD7893 Clinical (unspecified phase)
0.6882 Remote Similarity NPD5408 Approved
0.6882 Remote Similarity NPD5404 Approved
0.6882 Remote Similarity NPD5406 Approved
0.6879 Remote Similarity NPD6190 Approved
0.6871 Remote Similarity NPD2797 Approved
0.6871 Remote Similarity NPD3266 Approved
0.6871 Remote Similarity NPD1203 Approved
0.6871 Remote Similarity NPD3267 Approved
0.6853 Remote Similarity NPD7700 Phase 2
0.6853 Remote Similarity NPD7699 Phase 2
0.6852 Remote Similarity NPD4379 Clinical (unspecified phase)
0.6842 Remote Similarity NPD3534 Clinical (unspecified phase)
0.6832 Remote Similarity NPD1201 Approved
0.6826 Remote Similarity NPD8032 Phase 2
0.6825 Remote Similarity NPD7240 Approved
0.6824 Remote Similarity NPD4308 Phase 3
0.681 Remote Similarity NPD6696 Suspended
0.68 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6796 Remote Similarity NPD5353 Approved
0.679 Remote Similarity NPD1608 Approved
0.679 Remote Similarity NPD9717 Approved
0.6786 Remote Similarity NPD6535 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3314603
ZINC  

Physicochemical Properties

Molecular Weight:  600.35
ALogP:  4.4326
MLogP:  4.98
XLogP:  9.068
# Rotatable Bonds:  20
Polar Surface Area:  100.9
# H-Bond Aceptor:  3
# H-Bond Donor:  2
# Rings:  4
# Heavy Atoms:  44

Download Data

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