Natural Product: NPC251336

Natural Product ID:  NPC251336
Common Name:   Sanggenon G
IUPAC Name:   (2S)-6-[(1S,5R,6S)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-(4-methylpent-3-enyl)cyclohex-2-en-1-yl]-2-(2,5-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
Synonyms:   Sanggenon G
Molecular Formula:   C40H38O11
Standard InCHIKey:  ZXTQHAMOONDJDJ-YTAXAHCSSA-N
Standard InCHI:  InChI=1S/C40H38O11/c1-19(2)4-3-5-20-12-26(24-9-6-22(42)15-30(24)45)36(39(49)25-10-7-23(43)16-31(25)46)28(13-20)37-32(47)18-35-38(40(37)50)33(48)17-34(51-35)27-14-21(41)8-11-29(27)44/h4,6-11,13-16,18,26,28,34,36,41-47,50H,3,5,12,17H2,1-2H3/t26-,28-,34-,36-/m0/s1
Canonical SMILES:  CC(=CCCC1=C[C@H](c2c(O)cc3c(c2O)C(=O)C[C@H](O3)c2cc(O)ccc2O)[C@H]([C@@H](C1)c1ccc(cc1O)O)C(=O)c1ccc(cc1O)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
NPO30392 Morus Genus Sulidae Eukaryota Root barks PMID[16356713]
NPO9402 Morus mongolica Species Moraceae Eukaryota HerDing*
NPO9402 Morus mongolica Species Moraceae Eukaryota TCMID*
NPO28265 Morus alba Species Moraceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT178 Individual Protein Protein-tyrosine phosphatase 1B Homo sapiens IC50 = 1600 nM 16356713
NPT1211 Individual Protein Dual specificity protein phosphatase 3 Homo sapiens IC50 > 80000 nM 16356713
NPT2 Others Unspecified IC50 = 17800 nM 16356713

  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 NPC251336 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 NPC195136
0.9615 High Similarity NPC105584
0.9557 High Similarity NPC473012
0.9497 High Similarity NPC473009
0.9494 High Similarity NPC312273
0.9494 High Similarity NPC301256
0.949 High Similarity NPC15815
0.9437 High Similarity NPC473010
0.943 High Similarity NPC98023
0.943 High Similarity NPC226462
0.9427 High Similarity NPC1796
0.9427 High Similarity NPC257166
0.9423 High Similarity NPC37253
0.9423 High Similarity NPC79375
0.9367 High Similarity NPC51247
0.9363 High Similarity NPC56049
0.9363 High Similarity NPC54830
0.9359 High Similarity NPC121568
0.9308 High Similarity NPC42965
0.9308 High Similarity NPC121647
0.9304 High Similarity NPC208258
0.9304 High Similarity NPC475184
0.9268 High Similarity NPC477529
0.925 High Similarity NPC18380
0.9245 High Similarity NPC51760
0.9241 High Similarity NPC69531
0.9241 High Similarity NPC32867
0.9231 High Similarity NPC178484
0.9202 High Similarity NPC253730
0.9202 High Similarity NPC286230
0.9193 High Similarity NPC473011
0.9193 High Similarity NPC15374
0.9187 High Similarity NPC292863
0.9187 High Similarity NPC184326
0.9182 High Similarity NPC322459
0.9182 High Similarity NPC323627
0.9182 High Similarity NPC287789
0.9182 High Similarity NPC271741
0.9182 High Similarity NPC318527
0.9182 High Similarity NPC324358
0.9177 High Similarity NPC300668
0.9177 High Similarity NPC66441
0.9177 High Similarity NPC134171
0.9177 High Similarity NPC182555
0.9172 High Similarity NPC78324
0.9172 High Similarity NPC115601
0.9172 High Similarity NPC208011
0.9172 High Similarity NPC39154
0.9172 High Similarity NPC43345
0.913 High Similarity NPC137232
0.9125 High Similarity NPC195167
0.9125 High Similarity NPC90497
0.9125 High Similarity NPC295090
0.9119 High Similarity NPC198489
0.9119 High Similarity NPC61112
0.9119 High Similarity NPC309648
0.9114 High Similarity NPC324447
0.9108 High Similarity NPC476551
0.9108 High Similarity NPC476553
0.9108 High Similarity NPC476552
0.9103 High Similarity NPC3642
0.908 High Similarity NPC169471
0.908 High Similarity NPC469664
0.9057 High Similarity NPC205026
0.9057 High Similarity NPC121649
0.9057 High Similarity NPC248739
0.9057 High Similarity NPC201227
0.9057 High Similarity NPC52611
0.9057 High Similarity NPC150908
0.9057 High Similarity NPC159707
0.9057 High Similarity NPC100049
0.9057 High Similarity NPC14606
0.9057 High Similarity NPC258474
0.9057 High Similarity NPC158027
0.9057 High Similarity NPC215203
0.9057 High Similarity NPC265624
0.9057 High Similarity NPC186227
0.9051 High Similarity NPC174086
0.9038 High Similarity NPC122894
0.9038 High Similarity NPC152233
0.9036 High Similarity NPC477836
0.9024 High Similarity NPC224851
0.9024 High Similarity NPC320741
0.9024 High Similarity NPC171985
0.9018 High Similarity NPC290160
0.9012 High Similarity NPC273467
0.9012 High Similarity NPC189552
0.9006 High Similarity NPC55443
0.9006 High Similarity NPC18699
0.9 High Similarity NPC78492
0.9 High Similarity NPC208152
0.8994 High Similarity NPC303485
0.8994 High Similarity NPC290830
0.8994 High Similarity NPC194593
0.8994 High Similarity NPC72425
0.8994 High Similarity NPC71061
0.8988 High Similarity NPC101991
0.8981 High Similarity NPC223988
0.8981 High Similarity NPC132345
0.8981 High Similarity NPC266499
0.8974 High Similarity NPC475348
0.8974 High Similarity NPC261271
0.8953 High Similarity NPC139683
0.8953 High Similarity NPC73929
0.8953 High Similarity NPC47905
0.8951 High Similarity NPC312993
0.8951 High Similarity NPC186325
0.8951 High Similarity NPC472618
0.8929 High Similarity NPC300657
0.8924 High Similarity NPC472633
0.8924 High Similarity NPC37348
0.8917 High Similarity NPC186397
0.8917 High Similarity NPC39195
0.8917 High Similarity NPC37135
0.8917 High Similarity NPC145467
0.8916 High Similarity NPC475212
0.8916 High Similarity NPC107627
0.8916 High Similarity NPC300307
0.891 High Similarity NPC290133
0.891 High Similarity NPC228779
0.891 High Similarity NPC24136
0.891 High Similarity NPC109183
0.891 High Similarity NPC470132
0.891 High Similarity NPC473078
0.891 High Similarity NPC470134
0.891 High Similarity NPC187282
0.891 High Similarity NPC470133
0.891 High Similarity NPC470131
0.8902 High Similarity NPC469395
0.8902 High Similarity NPC63438
0.8902 High Similarity NPC38591
0.8902 High Similarity NPC159508
0.8896 High Similarity NPC472261
0.8896 High Similarity NPC3629
0.8895 High Similarity NPC304322
0.8889 High Similarity NPC177650
0.8889 High Similarity NPC472617
0.8889 High Similarity NPC150977
0.8889 High Similarity NPC186113
0.8889 High Similarity NPC123544
0.8882 High Similarity NPC324742
0.8882 High Similarity NPC121888
0.8882 High Similarity NPC185275
0.8869 High Similarity NPC73899
0.8869 High Similarity NPC24748
0.8869 High Similarity NPC59491
0.8869 High Similarity NPC17105
0.8869 High Similarity NPC147363
0.8869 High Similarity NPC474276
0.8868 High Similarity NPC316960
0.8868 High Similarity NPC148945
0.8868 High Similarity NPC204561
0.8868 High Similarity NPC138299
0.8868 High Similarity NPC317715
0.8868 High Similarity NPC78835
0.8868 High Similarity NPC309512
0.8868 High Similarity NPC111112
0.8868 High Similarity NPC67322
0.8868 High Similarity NPC222713
0.8862 High Similarity NPC476365
0.8861 High Similarity NPC473016
0.8855 High Similarity NPC76647
0.8854 High Similarity NPC308200
0.8848 High Similarity NPC477840
0.8846 High Similarity NPC197252
0.8846 High Similarity NPC473014
0.8846 High Similarity NPC471473
0.8846 High Similarity NPC39045
0.8846 High Similarity NPC470136
0.8846 High Similarity NPC282957
0.8846 High Similarity NPC471523
0.8846 High Similarity NPC473013
0.8846 High Similarity NPC271288
0.8846 High Similarity NPC235217
0.8846 High Similarity NPC470135
0.8846 High Similarity NPC471524
0.8846 High Similarity NPC236766
0.8846 High Similarity NPC194949
0.8846 High Similarity NPC473015
0.8834 High Similarity NPC188967
0.8834 High Similarity NPC471976
0.8834 High Similarity NPC470342
0.8834 High Similarity NPC472060
0.8834 High Similarity NPC476506
0.8834 High Similarity NPC472052
0.8827 High Similarity NPC282390
0.8827 High Similarity NPC196448
0.8827 High Similarity NPC281137
0.8824 High Similarity NPC265380
0.8824 High Similarity NPC471789
0.882 High Similarity NPC254351
0.8812 High Similarity NPC87708
0.8812 High Similarity NPC474843
0.881 High Similarity NPC4200
0.881 High Similarity NPC186847
0.881 High Similarity NPC257667
0.881 High Similarity NPC472454
0.8805 High Similarity NPC227122
0.8805 High Similarity NPC101957
0.8805 High Similarity NPC471115

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC251336 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
0.9177 High Similarity NPD8443 Clinical (unspecified phase)
0.913 High Similarity NPD6959 Discontinued
0.8848 High Similarity NPD7852 Clinical (unspecified phase)
0.8758 High Similarity NPD7819 Suspended
0.865 High Similarity NPD7768 Phase 2
0.8642 High Similarity NPD2393 Clinical (unspecified phase)
0.8634 High Similarity NPD7411 Suspended
0.8608 High Similarity NPD7410 Clinical (unspecified phase)
0.8571 High Similarity NPD4380 Phase 2
0.8512 High Similarity NPD6168 Clinical (unspecified phase)
0.8512 High Similarity NPD6167 Clinical (unspecified phase)
0.8512 High Similarity NPD6166 Phase 2
0.8494 Intermediate Similarity NPD5494 Approved
0.8491 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.8485 Intermediate Similarity NPD7075 Discontinued
0.8462 Intermediate Similarity NPD1549 Phase 2
0.8397 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.8397 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.8363 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.8363 Intermediate Similarity NPD5844 Phase 1
0.8354 Intermediate Similarity NPD1934 Approved
0.8303 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.8263 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.8246 Intermediate Similarity NPD7473 Discontinued
0.8229 Intermediate Similarity NPD8313 Approved
0.8229 Intermediate Similarity NPD8312 Approved
0.8217 Intermediate Similarity NPD2796 Approved
0.8212 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.8208 Intermediate Similarity NPD7074 Phase 3
0.8204 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.8202 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.8199 Intermediate Similarity NPD7390 Discontinued
0.8193 Intermediate Similarity NPD2801 Approved
0.8161 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.8153 Intermediate Similarity NPD1510 Phase 2
0.815 Intermediate Similarity NPD7054 Approved
0.8114 Intermediate Similarity NPD6559 Discontinued
0.8103 Intermediate Similarity NPD7472 Approved
0.807 Intermediate Similarity NPD6232 Discontinued
0.8068 Intermediate Similarity NPD7808 Phase 3
0.8047 Intermediate Similarity NPD3749 Approved
0.8025 Intermediate Similarity NPD1607 Approved
0.8024 Intermediate Similarity NPD6801 Discontinued
0.8013 Intermediate Similarity NPD1240 Approved
0.8011 Intermediate Similarity NPD7251 Discontinued
0.7987 Intermediate Similarity NPD2935 Discontinued
0.7975 Intermediate Similarity NPD1511 Approved
0.7955 Intermediate Similarity NPD6797 Phase 2
0.795 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7929 Intermediate Similarity NPD5402 Approved
0.7901 Intermediate Similarity NPD3750 Approved
0.7886 Intermediate Similarity NPD3818 Discontinued
0.7885 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7882 Intermediate Similarity NPD3882 Suspended
0.7879 Intermediate Similarity NPD1512 Approved
0.7865 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7844 Intermediate Similarity NPD3226 Approved
0.784 Intermediate Similarity NPD2800 Approved
0.7831 Intermediate Similarity NPD7871 Phase 2
0.7831 Intermediate Similarity NPD7870 Phase 2
0.7824 Intermediate Similarity NPD3817 Phase 2
0.7818 Intermediate Similarity NPD2533 Approved
0.7818 Intermediate Similarity NPD2532 Approved
0.7818 Intermediate Similarity NPD2534 Approved
0.7799 Intermediate Similarity NPD6651 Approved
0.7798 Intermediate Similarity NPD6599 Discontinued
0.7791 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.779 Intermediate Similarity NPD8150 Discontinued
0.7778 Intermediate Similarity NPD7698 Approved
0.7778 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7778 Intermediate Similarity NPD7696 Phase 3
0.7778 Intermediate Similarity NPD7697 Approved
0.7764 Intermediate Similarity NPD6099 Approved
0.7764 Intermediate Similarity NPD6100 Approved
0.7758 Intermediate Similarity NPD6799 Approved
0.7756 Intermediate Similarity NPD4908 Phase 1
0.7738 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7713 Intermediate Similarity NPD6776 Approved
0.7713 Intermediate Similarity NPD6777 Approved
0.7713 Intermediate Similarity NPD6780 Approved
0.7713 Intermediate Similarity NPD6781 Approved
0.7713 Intermediate Similarity NPD6782 Approved
0.7713 Intermediate Similarity NPD6778 Approved
0.7713 Intermediate Similarity NPD6779 Approved
0.7711 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7702 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7684 Intermediate Similarity NPD7435 Discontinued
0.7668 Intermediate Similarity NPD8151 Discontinued
0.7661 Intermediate Similarity NPD8455 Phase 2
0.7654 Intermediate Similarity NPD1551 Phase 2
0.7633 Intermediate Similarity NPD7458 Discontinued
0.7619 Intermediate Similarity NPD5403 Approved
0.7617 Intermediate Similarity NPD7701 Phase 2
0.7607 Intermediate Similarity NPD2346 Discontinued
0.7593 Intermediate Similarity NPD3748 Approved
0.7593 Intermediate Similarity NPD2799 Discontinued
0.759 Intermediate Similarity NPD7801 Approved
0.759 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.759 Intermediate Similarity NPD7783 Phase 2
0.7584 Intermediate Similarity NPD3751 Discontinued
0.7569 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7556 Intermediate Similarity NPD5953 Discontinued
0.7553 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7547 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7546 Intermediate Similarity NPD5406 Approved
0.7546 Intermediate Similarity NPD5405 Approved
0.7546 Intermediate Similarity NPD5404 Approved
0.7546 Intermediate Similarity NPD5408 Approved
0.7542 Intermediate Similarity NPD7286 Phase 2
0.7541 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.754 Intermediate Similarity NPD4360 Phase 2
0.754 Intermediate Similarity NPD4363 Phase 3
0.7539 Intermediate Similarity NPD6823 Phase 2
0.7538 Intermediate Similarity NPD7874 Approved
0.7538 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7515 Intermediate Similarity NPD920 Approved
0.7513 Intermediate Similarity NPD7699 Phase 2
0.7513 Intermediate Similarity NPD7700 Phase 2
0.75 Intermediate Similarity NPD2344 Approved
0.75 Intermediate Similarity NPD8434 Phase 2
0.75 Intermediate Similarity NPD1247 Approved
0.75 Intermediate Similarity NPD5401 Approved
0.747 Intermediate Similarity NPD7003 Approved
0.747 Intermediate Similarity NPD4628 Phase 3
0.7458 Intermediate Similarity NPD3787 Discontinued
0.7458 Intermediate Similarity NPD7229 Phase 3
0.7457 Intermediate Similarity NPD1465 Phase 2
0.7447 Intermediate Similarity NPD6534 Approved
0.7447 Intermediate Similarity NPD6535 Approved
0.7416 Intermediate Similarity NPD3926 Phase 2
0.741 Intermediate Similarity NPD1243 Approved
0.7399 Intermediate Similarity NPD6844 Discontinued
0.7396 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7396 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7389 Intermediate Similarity NPD7177 Discontinued
0.7381 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.736 Intermediate Similarity NPD5710 Approved
0.736 Intermediate Similarity NPD5711 Approved
0.7358 Intermediate Similarity NPD2861 Phase 2
0.7353 Intermediate Similarity NPD6273 Approved
0.7344 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7341 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7329 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7329 Intermediate Similarity NPD2313 Discontinued
0.7321 Intermediate Similarity NPD2309 Approved
0.7312 Intermediate Similarity NPD6832 Phase 2
0.731 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7308 Intermediate Similarity NPD1610 Phase 2
0.7308 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7293 Intermediate Similarity NPD7228 Approved
0.7288 Intermediate Similarity NPD919 Approved
0.7282 Intermediate Similarity NPD8320 Phase 1
0.7282 Intermediate Similarity NPD8319 Approved
0.7267 Intermediate Similarity NPD4625 Phase 3
0.7262 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7257 Intermediate Similarity NPD5761 Phase 2
0.7257 Intermediate Similarity NPD5760 Phase 2
0.7255 Intermediate Similarity NPD8155 Clinical (unspecified phase)
0.7239 Intermediate Similarity NPD943 Approved
0.7215 Intermediate Similarity NPD4749 Approved
0.7211 Intermediate Similarity NPD6214 Clinical (unspecified phase)
0.7211 Intermediate Similarity NPD6212 Phase 3
0.7211 Intermediate Similarity NPD6213 Phase 3
0.7208 Intermediate Similarity NPD7584 Approved
0.7207 Intermediate Similarity NPD7199 Phase 2
0.7207 Intermediate Similarity NPD8127 Discontinued
0.72 Intermediate Similarity NPD37 Approved
0.7198 Intermediate Similarity NPD7893 Clinical (unspecified phase)
0.7195 Intermediate Similarity NPD5124 Phase 1
0.7195 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7191 Intermediate Similarity NPD6234 Discontinued
0.7188 Intermediate Similarity NPD2798 Approved
0.7175 Intermediate Similarity NPD4967 Phase 2
0.7175 Intermediate Similarity NPD4966 Approved
0.7175 Intermediate Similarity NPD4965 Approved
0.716 Intermediate Similarity NPD8166 Discontinued
0.7143 Intermediate Similarity NPD4287 Approved
0.7135 Intermediate Similarity NPD4361 Phase 2
0.7135 Intermediate Similarity NPD4362 Clinical (unspecified phase)
0.7134 Intermediate Similarity NPD1613 Approved
0.7134 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7127 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7125 Intermediate Similarity NPD1470 Approved
0.7125 Intermediate Similarity NPD1203 Approved
0.7117 Intermediate Similarity NPD3268 Approved
0.7113 Intermediate Similarity NPD8285 Discontinued
0.7102 Intermediate Similarity NPD7577 Discontinued
0.7091 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7089 Intermediate Similarity NPD1201 Approved
0.7083 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7071 Intermediate Similarity NPD7211 Clinical (unspecified phase)
0.7066 Intermediate Similarity NPD7033 Discontinued
0.7044 Intermediate Similarity NPD1608 Approved
0.7043 Intermediate Similarity NPD7685 Pre-registration
0.7022 Intermediate Similarity NPD4288 Approved
0.7019 Intermediate Similarity NPD2797 Approved
0.7006 Intermediate Similarity NPD7097 Phase 1
0.7005 Intermediate Similarity NPD7549 Discontinued
0.7 Intermediate Similarity NPD8058 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD8059 Phase 3

Structure

External Identifiers

PubChem CID   44408701
ChEMBL   CHEMBL382338
ZINC  

Physicochemical Properties

Molecular Weight:  694.24
ALogP:  -2.222
MLogP:  4.65
XLogP:  3.588
# Rotatable Bonds:  18
Polar Surface Area:  205.21
# H-Bond Aceptor:  2
# H-Bond Donor:  8
# Rings:  6
# Heavy Atoms:  51

Download Data

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