Natural Product: NPC475360

Natural Product ID:  NPC475360
Common Name:   Balanophotannin G
IUPAC Name:   dipotassium;(1R,3aR,8bR)-3a-(carboxylatomethyl)-8-[[(2R,3S,4S,5R,6S)-6-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxycarbonyl]-5,6-dihydroxy-3-oxo-1,8b-dihydrofuro[3,4-b][1]benzofuran-1-carboxylate
Synonyms:   Balanophotannin G
Molecular Formula:   C29H26O19.2K
Standard InCHIKey:  POJLFNLRUDCDSB-DOJHFFIFSA-L
Standard InCHI:  InChI=1S/C29H26O19.2K/c30-11-3-1-9(5-12(11)31)2-4-16(35)46-27-22(39)21(38)20(37)14(45-27)8-44-26(42)10-6-13(32)19(36)23-17(10)18-24(25(40)41)47-28(43)29(18,48-23)7-15(33)34;;/h1-6,14,18,20-22,24,27,30-32,36-39H,7-8H2,(H,33,34)(H,40,41);;/q;2*+1/p-2/b4-2+;;/t14-,18-,20-,21+,22-,24-,27+,29-;;/m1../s1
Canonical SMILES:  O=C(O[C@@H]1O[C@H](COC(=O)c2cc(O)c(c3c2[C@@H]2[C@@H](OC(=O)[C@@]2(O3)CC(=O)O)C(=O)O)O)[C@H]([C@@H]([C@H]1O)O)O)/C=C/c1ccc(c(c1)[O-])[O-].[K+].[K+]
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
NPO15233 Balanophora japonica Species Balanophoraceae Eukaryota PMID[18302336]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT65 Cell Line HepG2 Homo sapiens IC50 = 18040 nM 19902967

  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 NPC475360 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
0.9474 High Similarity NPC473713
0.9422 High Similarity NPC170203
0.9128 High Similarity NPC72249
0.9017 High Similarity NPC212748
0.9012 High Similarity NPC149244
0.9012 High Similarity NPC48640
0.8971 High Similarity NPC171706
0.8944 High Similarity NPC7839
0.8944 High Similarity NPC173872
0.8944 High Similarity NPC142291
0.8944 High Similarity NPC119094
0.892 High Similarity NPC296018
0.892 High Similarity NPC268533
0.892 High Similarity NPC154741
0.8914 High Similarity NPC4390
0.8908 High Similarity NPC155763
0.8908 High Similarity NPC235260
0.8908 High Similarity NPC20505
0.8902 High Similarity NPC116745
0.8895 High Similarity NPC201814
0.8895 High Similarity NPC165720
0.8889 High Similarity NPC22324
0.887 High Similarity NPC476773
0.887 High Similarity NPC113836
0.887 High Similarity NPC37668
0.887 High Similarity NPC253521
0.887 High Similarity NPC241196
0.8864 High Similarity NPC49344
0.8864 High Similarity NPC101191
0.8864 High Similarity NPC210094
0.8864 High Similarity NPC253685
0.8864 High Similarity NPC237435
0.8864 High Similarity NPC135277
0.8864 High Similarity NPC43211
0.8864 High Similarity NPC115760
0.8857 High Similarity NPC175107
0.8857 High Similarity NPC476772
0.8857 High Similarity NPC153755
0.8857 High Similarity NPC178737
0.8857 High Similarity NPC235575
0.8857 High Similarity NPC190003
0.8857 High Similarity NPC245452
0.8851 High Similarity NPC138927
0.8851 High Similarity NPC476771
0.8844 High Similarity NPC255615
0.8844 High Similarity NPC254306
0.8844 High Similarity NPC67037
0.8837 High Similarity NPC88043
0.8814 High Similarity NPC211532
0.8814 High Similarity NPC233994
0.8814 High Similarity NPC472384
0.8814 High Similarity NPC472382
0.8814 High Similarity NPC144097
0.8814 High Similarity NPC61904
0.8814 High Similarity NPC472380
0.8814 High Similarity NPC472385
0.8814 High Similarity NPC297574
0.8814 High Similarity NPC198324
0.88 High Similarity NPC116864
0.88 High Similarity NPC244776
0.88 High Similarity NPC206123
0.88 High Similarity NPC149011
0.88 High Similarity NPC204937
0.8793 High Similarity NPC92565
0.8793 High Similarity NPC42892
0.8793 High Similarity NPC298847
0.8793 High Similarity NPC45400
0.8793 High Similarity NPC160156
0.8786 High Similarity NPC88243
0.8786 High Similarity NPC34531
0.8786 High Similarity NPC475738
0.8779 High Similarity NPC144557
0.8778 High Similarity NPC231254
0.8772 High Similarity NPC239966
0.8772 High Similarity NPC44507
0.8772 High Similarity NPC203020
0.8771 High Similarity NPC208797
0.8771 High Similarity NPC469371
0.8771 High Similarity NPC473073
0.8771 High Similarity NPC53680
0.8771 High Similarity NPC473071
0.8764 High Similarity NPC139571
0.8764 High Similarity NPC293626
0.8764 High Similarity NPC173837
0.8764 High Similarity NPC258044
0.8764 High Similarity NPC196127
0.8764 High Similarity NPC217520
0.8764 High Similarity NPC267680
0.8764 High Similarity NPC35167
0.8764 High Similarity NPC217387
0.8757 High Similarity NPC84482
0.8757 High Similarity NPC169645
0.8757 High Similarity NPC477848
0.8757 High Similarity NPC223426
0.8757 High Similarity NPC264735
0.8757 High Similarity NPC108202
0.8757 High Similarity NPC34267
0.8757 High Similarity NPC81042
0.8757 High Similarity NPC469354
0.8757 High Similarity NPC214621
0.875 High Similarity NPC60735
0.875 High Similarity NPC26230
0.875 High Similarity NPC476358
0.875 High Similarity NPC261254
0.8743 High Similarity NPC219904
0.8743 High Similarity NPC223747
0.8743 High Similarity NPC225434
0.8743 High Similarity NPC52382
0.8743 High Similarity NPC120099
0.8743 High Similarity NPC229687
0.8743 High Similarity NPC270578
0.8743 High Similarity NPC203050
0.8736 High Similarity NPC274618
0.8736 High Similarity NPC276222
0.8736 High Similarity NPC308404
0.8736 High Similarity NPC88789
0.8736 High Similarity NPC253662
0.8736 High Similarity NPC145038
0.8736 High Similarity NPC179950
0.8736 High Similarity NPC21100
0.8736 High Similarity NPC118284
0.8736 High Similarity NPC56077
0.8736 High Similarity NPC197285
0.8736 High Similarity NPC281131
0.8729 High Similarity NPC261623
0.8729 High Similarity NPC111490
0.8728 High Similarity NPC223006
0.8728 High Similarity NPC173729
0.8728 High Similarity NPC134047
0.8728 High Similarity NPC272750
0.8722 High Similarity NPC297503
0.8722 High Similarity NPC36138
0.8722 High Similarity NPC470447
0.8722 High Similarity NPC473072
0.8722 High Similarity NPC470449
0.8722 High Similarity NPC35924
0.8722 High Similarity NPC97119
0.8722 High Similarity NPC470718
0.8722 High Similarity NPC135831
0.8722 High Similarity NPC107987
0.8722 High Similarity NPC199172
0.8722 High Similarity NPC470445
0.8722 High Similarity NPC470446
0.8715 High Similarity NPC198902
0.8715 High Similarity NPC212290
0.8715 High Similarity NPC244903
0.8715 High Similarity NPC80956
0.8713 High Similarity NPC160780
0.8713 High Similarity NPC289811
0.8708 High Similarity NPC257714
0.8708 High Similarity NPC89127
0.8708 High Similarity NPC471669
0.8708 High Similarity NPC8573
0.8701 High Similarity NPC34436
0.8701 High Similarity NPC45522
0.8701 High Similarity NPC24043
0.8701 High Similarity NPC101026
0.8701 High Similarity NPC473550
0.8701 High Similarity NPC175230
0.8701 High Similarity NPC42773
0.8701 High Similarity NPC219600
0.8701 High Similarity NPC169977
0.8701 High Similarity NPC166674
0.8701 High Similarity NPC263119
0.8701 High Similarity NPC21666
0.8701 High Similarity NPC474568
0.8701 High Similarity NPC46640
0.8701 High Similarity NPC88560
0.8701 High Similarity NPC172033
0.8693 High Similarity NPC254855
0.8693 High Similarity NPC259896
0.8693 High Similarity NPC471416
0.8693 High Similarity NPC245014
0.8693 High Similarity NPC285197
0.8693 High Similarity NPC136042
0.8693 High Similarity NPC84265
0.8693 High Similarity NPC67326
0.8693 High Similarity NPC156869
0.8693 High Similarity NPC282987
0.8693 High Similarity NPC29958
0.8693 High Similarity NPC34287
0.8693 High Similarity NPC181778
0.8693 High Similarity NPC255157
0.8686 High Similarity NPC173637
0.8686 High Similarity NPC265530
0.8686 High Similarity NPC52550
0.8686 High Similarity NPC84362
0.8686 High Similarity NPC226304
0.8686 High Similarity NPC317489
0.8686 High Similarity NPC325555
0.8686 High Similarity NPC223424
0.8686 High Similarity NPC229729
0.8686 High Similarity NPC127546
0.8681 High Similarity NPC105591
0.8681 High Similarity NPC65489
0.8678 High Similarity NPC55786
0.8678 High Similarity NPC277205
0.8678 High Similarity NPC19388
0.8678 High Similarity NPC240431
0.8674 High Similarity NPC21359

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC475360 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
0.8902 High Similarity NPD3818 Discontinued
0.8864 High Similarity NPD4338 Clinical (unspecified phase)
0.8644 High Similarity NPD6797 Phase 2
0.8596 High Similarity NPD7251 Discontinued
0.8547 High Similarity NPD7808 Phase 3
0.8483 Intermediate Similarity NPD7472 Approved
0.8483 Intermediate Similarity NPD7074 Phase 3
0.8427 Intermediate Similarity NPD7054 Approved
0.8409 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.8391 Intermediate Similarity NPD6234 Discontinued
0.8382 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.8382 Intermediate Similarity NPD3882 Suspended
0.8371 Intermediate Similarity NPD7228 Approved
0.8333 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.8295 Intermediate Similarity NPD7199 Phase 2
0.8276 Intermediate Similarity NPD4965 Approved
0.8276 Intermediate Similarity NPD4967 Phase 2
0.8276 Intermediate Similarity NPD4966 Approved
0.8258 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.8258 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.8258 Intermediate Similarity NPD6166 Phase 2
0.8232 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.8218 Intermediate Similarity NPD3817 Phase 2
0.8208 Intermediate Similarity NPD1934 Approved
0.8207 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.8182 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.8161 Intermediate Similarity NPD1465 Phase 2
0.8125 Intermediate Similarity NPD7075 Discontinued
0.8122 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.8103 Intermediate Similarity NPD37 Approved
0.8087 Intermediate Similarity NPD6559 Discontinued
0.8066 Intermediate Similarity NPD3751 Discontinued
0.8057 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.8045 Intermediate Similarity NPD6232 Discontinued
0.8022 Intermediate Similarity NPD5844 Phase 1
0.8011 Intermediate Similarity NPD7473 Discontinued
0.7989 Intermediate Similarity NPD7685 Pre-registration
0.7989 Intermediate Similarity NPD7240 Approved
0.7955 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7955 Intermediate Similarity NPD2801 Approved
0.7933 Intermediate Similarity NPD5494 Approved
0.791 Intermediate Similarity NPD5402 Approved
0.7903 Intermediate Similarity NPD8312 Approved
0.7903 Intermediate Similarity NPD8313 Approved
0.7898 Intermediate Similarity NPD6801 Discontinued
0.7874 Intermediate Similarity NPD1653 Approved
0.7872 Intermediate Similarity NPD8434 Phase 2
0.7861 Intermediate Similarity NPD1512 Approved
0.7853 Intermediate Similarity NPD7819 Suspended
0.7845 Intermediate Similarity NPD3787 Discontinued
0.7816 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7784 Intermediate Similarity NPD4380 Phase 2
0.7766 Intermediate Similarity NPD7435 Discontinued
0.7746 Intermediate Similarity NPD6799 Approved
0.7746 Intermediate Similarity NPD1511 Approved
0.7733 Intermediate Similarity NPD6190 Approved
0.7722 Intermediate Similarity NPD3749 Approved
0.7714 Intermediate Similarity NPD5403 Approved
0.7684 Intermediate Similarity NPD6599 Discontinued
0.7644 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7614 Intermediate Similarity NPD6777 Approved
0.7614 Intermediate Similarity NPD6781 Approved
0.7614 Intermediate Similarity NPD6779 Approved
0.7614 Intermediate Similarity NPD6780 Approved
0.7614 Intermediate Similarity NPD6782 Approved
0.7614 Intermediate Similarity NPD6778 Approved
0.7614 Intermediate Similarity NPD6776 Approved
0.7609 Intermediate Similarity NPD3926 Phase 2
0.7604 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.76 Intermediate Similarity NPD5401 Approved
0.7582 Intermediate Similarity NPD919 Approved
0.7574 Intermediate Similarity NPD8151 Discontinued
0.7563 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.7558 Intermediate Similarity NPD1549 Phase 2
0.7542 Intermediate Similarity NPD7411 Suspended
0.7537 Intermediate Similarity NPD7874 Approved
0.7537 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7514 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD2534 Approved
0.75 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD2532 Approved
0.75 Intermediate Similarity NPD1247 Approved
0.75 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD7680 Approved
0.75 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD2533 Approved
0.7471 Intermediate Similarity NPD3750 Approved
0.7463 Intermediate Similarity NPD8319 Approved
0.7463 Intermediate Similarity NPD8320 Phase 1
0.7457 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7413 Intermediate Similarity NPD7698 Approved
0.7413 Intermediate Similarity NPD7697 Approved
0.7413 Intermediate Similarity NPD7696 Phase 3
0.7405 Intermediate Similarity NPD6959 Discontinued
0.7396 Intermediate Similarity NPD7090 Clinical (unspecified phase)
0.738 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7376 Intermediate Similarity NPD7871 Phase 2
0.7376 Intermediate Similarity NPD7870 Phase 2
0.7371 Intermediate Similarity NPD4628 Phase 3
0.7363 Intermediate Similarity NPD8455 Phase 2
0.736 Intermediate Similarity NPD6534 Approved
0.736 Intermediate Similarity NPD6535 Approved
0.7358 Intermediate Similarity NPD5619 Clinical (unspecified phase)
0.7353 Intermediate Similarity NPD1613 Approved
0.7353 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7353 Intermediate Similarity NPD7701 Phase 2
0.7333 Intermediate Similarity NPD3226 Approved
0.733 Intermediate Similarity NPD7801 Approved
0.733 Intermediate Similarity NPD7783 Phase 2
0.733 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.732 Intermediate Similarity NPD8150 Discontinued
0.731 Intermediate Similarity NPD230 Phase 1
0.7299 Intermediate Similarity NPD7266 Discontinued
0.7283 Intermediate Similarity NPD1510 Phase 2
0.7277 Intermediate Similarity NPD5006 Approved
0.7277 Intermediate Similarity NPD5005 Approved
0.7273 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.725 Intermediate Similarity NPD7700 Phase 2
0.725 Intermediate Similarity NPD7699 Phase 2
0.7241 Intermediate Similarity NPD2796 Approved
0.7225 Intermediate Similarity NPD7930 Approved
0.7209 Intermediate Similarity NPD1933 Approved
0.7207 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7207 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7189 Intermediate Similarity NPD7768 Phase 2
0.7184 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7184 Intermediate Similarity NPD3748 Approved
0.7183 Intermediate Similarity NPD8155 Clinical (unspecified phase)
0.7178 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7164 Intermediate Similarity NPD4420 Approved
0.7151 Intermediate Similarity NPD943 Approved
0.7143 Intermediate Similarity NPD1551 Phase 2
0.7143 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7119 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7118 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7112 Intermediate Similarity NPD5537 Clinical (unspecified phase)
0.711 Intermediate Similarity NPD6355 Discontinued
0.711 Intermediate Similarity NPD447 Suspended
0.7108 Intermediate Similarity NPD6823 Phase 2
0.709 Intermediate Similarity NPD5710 Approved
0.709 Intermediate Similarity NPD7229 Phase 3
0.709 Intermediate Similarity NPD5711 Approved
0.7079 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7076 Intermediate Similarity NPD3027 Phase 3
0.7059 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7053 Intermediate Similarity NPD7584 Approved
0.7052 Intermediate Similarity NPD1240 Approved
0.7052 Intermediate Similarity NPD7966 Clinical (unspecified phase)
0.7052 Intermediate Similarity NPD4060 Phase 1
0.7045 Intermediate Similarity NPD2935 Discontinued
0.7037 Intermediate Similarity NPD8127 Discontinued
0.7035 Intermediate Similarity NPD3764 Approved
0.7035 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7033 Intermediate Similarity NPD920 Approved
0.703 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7022 Intermediate Similarity NPD6674 Discontinued
0.7019 Intermediate Similarity NPD7585 Approved
0.7017 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.701 Intermediate Similarity NPD5953 Discontinued
0.7009 Intermediate Similarity NPD4111 Phase 1
0.7009 Intermediate Similarity NPD4665 Approved
0.7006 Intermediate Similarity NPD2346 Discontinued
0.7 Intermediate Similarity NPD7296 Approved
0.6995 Remote Similarity NPD8404 Phase 2
0.6989 Remote Similarity NPD7033 Discontinued
0.6971 Remote Similarity NPD7583 Approved
0.6971 Remote Similarity NPD1607 Approved
0.6963 Remote Similarity NPD5242 Approved
0.6957 Remote Similarity NPD7458 Discontinued
0.6952 Remote Similarity NPD5353 Approved
0.6949 Remote Similarity NPD6099 Approved
0.6949 Remote Similarity NPD6100 Approved
0.6944 Remote Similarity NPD8366 Approved
0.6944 Remote Similarity NPD7907 Approved
0.6943 Remote Similarity NPD7799 Discontinued
0.6936 Remote Similarity NPD6798 Discontinued
0.6927 Remote Similarity NPD2403 Approved
0.6927 Remote Similarity NPD2800 Approved
0.691 Remote Similarity NPD2344 Approved
0.6908 Remote Similarity NPD4004 Approved
0.6908 Remote Similarity NPD4002 Approved
0.6906 Remote Similarity NPD643 Clinical (unspecified phase)
0.69 Remote Similarity NPD4287 Approved
0.6898 Remote Similarity NPD5761 Phase 2
0.6898 Remote Similarity NPD5760 Phase 2
0.6895 Remote Similarity NPD8491 Approved
0.6893 Remote Similarity NPD3452 Approved
0.6893 Remote Similarity NPD2493 Approved
0.6893 Remote Similarity NPD2799 Discontinued
0.6893 Remote Similarity NPD2494 Approved
0.6893 Remote Similarity NPD3450 Approved
0.6888 Remote Similarity NPD6764 Approved
0.6888 Remote Similarity NPD6765 Approved
0.6885 Remote Similarity NPD6273 Approved
0.6881 Remote Similarity NPD6213 Phase 3
0.6881 Remote Similarity NPD6212 Phase 3
0.6881 Remote Similarity NPD6214 Clinical (unspecified phase)
0.6875 Remote Similarity NPD4582 Approved
0.6875 Remote Similarity NPD4583 Approved
0.6869 Remote Similarity NPD8407 Phase 2

Structure

External Identifiers

PubChem CID   24862053
ChEMBL   CHEMBL504285
ZINC  

Physicochemical Properties

Molecular Weight:  676.09
ALogP:  -5.089
MLogP:  2.56
XLogP:  -1.663
# Rotatable Bonds:  20
Polar Surface Area:  319.23
# H-Bond Aceptor:  14
# H-Bond Donor:  7
# Rings:  5
# Heavy Atoms:  48

Download Data

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