Natural Product: NPC7341

Natural Product ID:  NPC7341
Common Name:   Ginsenoside Rh4
IUPAC Name:   (2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[(2E)-6-methylhepta-2,5-dien-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Synonyms:   Ginsenoside Rh4
Molecular Formula:   C36H60O8
Standard InCHIKey:  OZTXYFOXQFKYRP-TXRYYSRHSA-N
Standard InCHI:  InChI=1S/C36H60O8/c1-19(2)10-9-11-20(3)21-12-15-35(7)27(21)22(38)16-25-34(6)14-13-26(39)33(4,5)31(34)23(17-36(25,35)8)43-32-30(42)29(41)28(40)24(18-37)44-32/h10-11,21-32,37-42H,9,12-18H2,1-8H3/b20-11+/t21-,22-,23+,24-,25-,26+,27+,28-,29+,30-,31+,32-,34-,35-,36-/m1/s1
Canonical SMILES:  OC[C@H]1O[C@@H](O[C@H]2C[C@]3(C)[C@@H]([C@@]4([C@@H]2C(C)(C)[C@@H](O)CC4)C)C[C@H]([C@H]2[C@@]3(C)CC[C@@H]2/C(=C/CC=C(C)C)/C)O)[C@@H]([C@H]([C@@H]1O)O)O
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
NPO25128 Panax vietnamensis Species Araliaceae Eukaryota Vietnam PMID[11325227]
NPO29141 Panax ginseng Species Araliaceae Eukaryota TM-MC*
NPO21891 Panax notoginseng Species Araliaceae Eukaryota TM-MC*
NPO20712 Panax quinquefolius Species Araliaceae Eukaryota TM-MC*
NPO29141 Panax ginseng Species Araliaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT993 Cell Line Hepatocyte Mus musculus Survival = 34 % 11325227
NPT993 Cell Line Hepatocyte Mus musculus Survival = 50 % 11325227
NPT993 Cell Line Hepatocyte Mus musculus Survival = 45 % 11325227
NPT993 Cell Line Hepatocyte Mus musculus Inhibition = 13.7 % 11325227
NPT993 Cell Line Hepatocyte Mus musculus Inhibition = 67.1 % 11325227
NPT993 Cell Line Hepatocyte Mus musculus Inhibition = 50.6 % 11325227
NPT993 Cell Line Hepatocyte Mus musculus Activity = 8 % 11325227
NPT993 Cell Line Hepatocyte Mus musculus Activity = 35.1 % 11325227
NPT993 Cell Line Hepatocyte Mus musculus Activity = 24.8 % 11325227
NPT993 Cell Line Hepatocyte Mus musculus IC50 = 97000 nM 11325227

  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 NPC7341 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 NPC473200
0.9892 High Similarity NPC4831
0.9892 High Similarity NPC129372
0.9892 High Similarity NPC472023
0.9892 High Similarity NPC309425
0.9892 High Similarity NPC160734
0.9892 High Similarity NPC88000
0.9892 High Similarity NPC47566
0.9891 High Similarity NPC234287
0.9891 High Similarity NPC280825
0.9787 High Similarity NPC312553
0.9787 High Similarity NPC159036
0.9787 High Similarity NPC136816
0.9787 High Similarity NPC288694
0.9684 High Similarity NPC189852
0.9684 High Similarity NPC16573
0.9684 High Similarity NPC31907
0.9684 High Similarity NPC245280
0.9684 High Similarity NPC472252
0.9684 High Similarity NPC286969
0.9684 High Similarity NPC131479
0.9684 High Similarity NPC473020
0.9684 High Similarity NPC157659
0.9684 High Similarity NPC213190
0.9684 High Similarity NPC211879
0.9684 High Similarity NPC16520
0.9684 High Similarity NPC473198
0.9684 High Similarity NPC155010
0.9684 High Similarity NPC120123
0.9684 High Similarity NPC114874
0.9684 High Similarity NPC8039
0.9583 High Similarity NPC165033
0.9583 High Similarity NPC273879
0.9485 High Similarity NPC194842
0.9485 High Similarity NPC160816
0.9485 High Similarity NPC208477
0.9485 High Similarity NPC208594
0.9485 High Similarity NPC472899
0.9485 High Similarity NPC152584
0.9485 High Similarity NPC69737
0.9485 High Similarity NPC472898
0.9485 High Similarity NPC472900
0.9485 High Similarity NPC127801
0.9485 High Similarity NPC473199
0.9485 High Similarity NPC269627
0.9462 High Similarity NPC472989
0.9388 High Similarity NPC181467
0.9388 High Similarity NPC63368
0.9388 High Similarity NPC208650
0.9388 High Similarity NPC473469
0.9388 High Similarity NPC234160
0.9388 High Similarity NPC231340
0.9388 High Similarity NPC14946
0.9381 High Similarity NPC187400
0.9381 High Similarity NPC470885
0.9381 High Similarity NPC312774
0.9381 High Similarity NPC475365
0.9381 High Similarity NPC75608
0.9381 High Similarity NPC221562
0.9368 High Similarity NPC282669
0.9362 High Similarity NPC243728
0.9362 High Similarity NPC473890
0.9293 High Similarity NPC472988
0.9293 High Similarity NPC159005
0.9293 High Similarity NPC220427
0.9293 High Similarity NPC6931
0.9293 High Similarity NPC246124
0.9293 High Similarity NPC7213
0.9293 High Similarity NPC38217
0.9293 High Similarity NPC180183
0.9286 High Similarity NPC242748
0.9263 High Similarity NPC158088
0.92 High Similarity NPC125361
0.92 High Similarity NPC296761
0.92 High Similarity NPC154085
0.92 High Similarity NPC51925
0.92 High Similarity NPC43976
0.92 High Similarity NPC472901
0.9192 High Similarity NPC190395
0.9184 High Similarity NPC93352
0.9175 High Similarity NPC272015
0.91 High Similarity NPC472897
0.91 High Similarity NPC472896
0.9091 High Similarity NPC473476
0.9091 High Similarity NPC26798
0.9091 High Similarity NPC309448
0.9091 High Similarity NPC473923
0.9072 High Similarity NPC263756
0.9072 High Similarity NPC267510
0.9072 High Similarity NPC470434
0.9072 High Similarity NPC117714
0.9072 High Similarity NPC31346
0.9062 High Similarity NPC216260
0.9062 High Similarity NPC5358
0.9053 High Similarity NPC207617
0.9043 High Similarity NPC305160
0.9043 High Similarity NPC72817
0.9043 High Similarity NPC477927
0.9032 High Similarity NPC48463
0.902 High Similarity NPC472987
0.902 High Similarity NPC473021
0.902 High Similarity NPC65167
0.902 High Similarity NPC114188
0.901 High Similarity NPC250089
0.901 High Similarity NPC302057
0.901 High Similarity NPC14630
0.901 High Similarity NPC157530
0.9 High Similarity NPC226642
0.9 High Similarity NPC33053
0.898 High Similarity NPC76497
0.898 High Similarity NPC256133
0.898 High Similarity NPC30289
0.898 High Similarity NPC213674
0.8969 High Similarity NPC469942
0.8958 High Similarity NPC76486
0.8922 High Similarity NPC103627
0.8922 High Similarity NPC191439
0.8922 High Similarity NPC170974
0.8922 High Similarity NPC472717
0.8911 High Similarity NPC476541
0.8911 High Similarity NPC235824
0.8911 High Similarity NPC476539
0.8911 High Similarity NPC476540
0.8911 High Similarity NPC476538
0.89 High Similarity NPC181845
0.89 High Similarity NPC474569
0.8889 High Similarity NPC99627
0.8889 High Similarity NPC123796
0.8889 High Similarity NPC473129
0.8889 High Similarity NPC162354
0.8889 High Similarity NPC473124
0.8889 High Similarity NPC473123
0.8878 High Similarity NPC21568
0.8878 High Similarity NPC285231
0.8866 High Similarity NPC476895
0.8866 High Similarity NPC157739
0.8854 High Similarity NPC90583
0.8846 High Similarity NPC144068
0.8846 High Similarity NPC476693
0.8835 High Similarity NPC285410
0.8835 High Similarity NPC250481
0.8835 High Similarity NPC472715
0.8835 High Similarity NPC263827
0.8835 High Similarity NPC197231
0.8824 High Similarity NPC28844
0.8824 High Similarity NPC475670
0.8824 High Similarity NPC476835
0.8824 High Similarity NPC473328
0.8824 High Similarity NPC477026
0.8824 High Similarity NPC477027
0.8824 High Similarity NPC70204
0.8824 High Similarity NPC306131
0.8824 High Similarity NPC473318
0.8812 High Similarity NPC470432
0.8812 High Similarity NPC94272
0.8812 High Similarity NPC283829
0.8812 High Similarity NPC230507
0.8812 High Similarity NPC113044
0.8812 High Similarity NPC161676
0.8812 High Similarity NPC14704
0.8812 High Similarity NPC305423
0.88 High Similarity NPC473734
0.88 High Similarity NPC203354
0.88 High Similarity NPC85593
0.88 High Similarity NPC148603
0.88 High Similarity NPC109792
0.88 High Similarity NPC475521
0.88 High Similarity NPC476360
0.88 High Similarity NPC57065
0.88 High Similarity NPC54521
0.88 High Similarity NPC110656
0.88 High Similarity NPC471434
0.88 High Similarity NPC31430
0.88 High Similarity NPC473127
0.88 High Similarity NPC476361
0.88 High Similarity NPC173583
0.88 High Similarity NPC471435
0.88 High Similarity NPC230948
0.8788 High Similarity NPC470053
0.8788 High Similarity NPC154452
0.8776 High Similarity NPC317019
0.8776 High Similarity NPC64348
0.8776 High Similarity NPC324598
0.8776 High Similarity NPC473790
0.8776 High Similarity NPC91497
0.8763 High Similarity NPC473555
0.8763 High Similarity NPC278939
0.8763 High Similarity NPC471770
0.8763 High Similarity NPC476893
0.8763 High Similarity NPC240372
0.875 High Similarity NPC475354
0.875 High Similarity NPC473567
0.875 High Similarity NPC472716
0.875 High Similarity NPC216595
0.875 High Similarity NPC19888
0.875 High Similarity NPC475312
0.875 High Similarity NPC231797
0.8738 High Similarity NPC154856
0.8738 High Similarity NPC475317
0.8738 High Similarity NPC65155

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC7341 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
0.8364 Intermediate Similarity NPD8377 Approved
0.8364 Intermediate Similarity NPD8294 Approved
0.8349 Intermediate Similarity NPD7327 Approved
0.8349 Intermediate Similarity NPD7328 Approved
0.8288 Intermediate Similarity NPD8380 Approved
0.8288 Intermediate Similarity NPD8379 Approved
0.8288 Intermediate Similarity NPD8296 Approved
0.8288 Intermediate Similarity NPD8033 Approved
0.8288 Intermediate Similarity NPD8378 Approved
0.8288 Intermediate Similarity NPD8335 Approved
0.8273 Intermediate Similarity NPD7516 Approved
0.8095 Intermediate Similarity NPD6412 Phase 2
0.798 Intermediate Similarity NPD8171 Discontinued
0.7849 Intermediate Similarity NPD7525 Registered
0.7845 Intermediate Similarity NPD7507 Approved
0.7818 Intermediate Similarity NPD8133 Approved
0.7807 Intermediate Similarity NPD7503 Approved
0.7778 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.7647 Intermediate Similarity NPD7319 Approved
0.7523 Intermediate Similarity NPD6686 Approved
0.7521 Intermediate Similarity NPD8328 Phase 3
0.7456 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.7417 Intermediate Similarity NPD7736 Approved
0.7368 Intermediate Similarity NPD7645 Phase 2
0.73 Intermediate Similarity NPD7524 Approved
0.7292 Intermediate Similarity NPD6928 Phase 2
0.7288 Intermediate Similarity NPD6370 Approved
0.7264 Intermediate Similarity NPD7638 Approved
0.7248 Intermediate Similarity NPD8170 Clinical (unspecified phase)
0.7196 Intermediate Similarity NPD7639 Approved
0.7196 Intermediate Similarity NPD7640 Approved
0.719 Intermediate Similarity NPD8293 Discontinued
0.7177 Intermediate Similarity NPD8449 Approved
0.7172 Intermediate Similarity NPD7338 Clinical (unspecified phase)
0.7128 Intermediate Similarity NPD6942 Approved
0.7128 Intermediate Similarity NPD7339 Approved
0.712 Intermediate Similarity NPD8450 Suspended
0.7119 Intermediate Similarity NPD6059 Approved
0.7119 Intermediate Similarity NPD6054 Approved
0.7071 Intermediate Similarity NPD6695 Phase 3
0.7019 Intermediate Similarity NPD8034 Phase 2
0.7019 Intermediate Similarity NPD8035 Phase 2
0.6961 Remote Similarity NPD7750 Discontinued
0.6957 Remote Similarity NPD8297 Approved
0.6957 Remote Similarity NPD6882 Approved
0.6942 Remote Similarity NPD6067 Discontinued
0.6917 Remote Similarity NPD6015 Approved
0.6917 Remote Similarity NPD6016 Approved
0.6885 Remote Similarity NPD7492 Approved
0.6875 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6875 Remote Similarity NPD6933 Approved
0.6864 Remote Similarity NPD6009 Approved
0.686 Remote Similarity NPD5988 Approved
0.6837 Remote Similarity NPD6929 Approved
0.6833 Remote Similarity NPD6319 Approved
0.6829 Remote Similarity NPD6616 Approved
0.6792 Remote Similarity NPD6399 Phase 3
0.6774 Remote Similarity NPD7078 Approved
0.6774 Remote Similarity NPD4267 Clinical (unspecified phase)
0.6768 Remote Similarity NPD6931 Approved
0.6768 Remote Similarity NPD6930 Phase 2
0.6765 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6752 Remote Similarity NPD4632 Approved
0.6729 Remote Similarity NPD7748 Approved
0.6726 Remote Similarity NPD6402 Approved
0.6726 Remote Similarity NPD5739 Approved
0.6726 Remote Similarity NPD6675 Approved
0.6726 Remote Similarity NPD7128 Approved
0.6697 Remote Similarity NPD7902 Approved
0.6696 Remote Similarity NPD6372 Approved
0.6696 Remote Similarity NPD6373 Approved
0.6667 Remote Similarity NPD6924 Approved
0.6667 Remote Similarity NPD6926 Approved
0.6667 Remote Similarity NPD5328 Approved
0.6667 Remote Similarity NPD4786 Approved
0.6639 Remote Similarity NPD8516 Approved
0.6639 Remote Similarity NPD8517 Approved
0.6639 Remote Similarity NPD8515 Approved
0.6639 Remote Similarity NPD8513 Phase 3
0.6635 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6633 Remote Similarity NPD5776 Phase 2
0.6633 Remote Similarity NPD6925 Approved
0.6633 Remote Similarity NPD6932 Approved
0.6618 Remote Similarity NPD7625 Phase 1
0.6609 Remote Similarity NPD7320 Approved
0.6609 Remote Similarity NPD6881 Approved
0.6609 Remote Similarity NPD6899 Approved
0.6607 Remote Similarity NPD7632 Discontinued
0.6587 Remote Similarity NPD6033 Approved
0.6583 Remote Similarity NPD7115 Discovery
0.6581 Remote Similarity NPD6649 Approved
0.6581 Remote Similarity NPD6650 Approved
0.6581 Remote Similarity NPD8130 Phase 1
0.6566 Remote Similarity NPD7145 Approved
0.6545 Remote Similarity NPD4755 Approved
0.6542 Remote Similarity NPD7515 Phase 2
0.6542 Remote Similarity NPD7087 Discontinued
0.6542 Remote Similarity NPD6079 Approved
0.6538 Remote Similarity NPD3618 Phase 1
0.6522 Remote Similarity NPD5697 Approved
0.6522 Remote Similarity NPD5701 Approved
0.6514 Remote Similarity NPD7991 Discontinued
0.65 Remote Similarity NPD6683 Phase 2
0.6496 Remote Similarity NPD7102 Approved
0.6496 Remote Similarity NPD7290 Approved
0.6496 Remote Similarity NPD4634 Approved
0.6496 Remote Similarity NPD6883 Approved
0.6495 Remote Similarity NPD1810 Approved
0.6495 Remote Similarity NPD1811 Approved
0.6486 Remote Similarity NPD4225 Approved
0.6481 Remote Similarity NPD4202 Approved
0.6471 Remote Similarity NPD3667 Approved
0.6458 Remote Similarity NPD4243 Approved
0.6458 Remote Similarity NPD7151 Approved
0.6458 Remote Similarity NPD7150 Approved
0.6458 Remote Similarity NPD7152 Approved
0.6449 Remote Similarity NPD3168 Discontinued
0.6442 Remote Similarity NPD6893 Approved
0.6441 Remote Similarity NPD6869 Approved
0.6441 Remote Similarity NPD6617 Approved
0.6441 Remote Similarity NPD6847 Approved
0.6436 Remote Similarity NPD7509 Discontinued
0.6436 Remote Similarity NPD7514 Phase 3
0.6429 Remote Similarity NPD5286 Approved
0.6429 Remote Similarity NPD5285 Approved
0.6429 Remote Similarity NPD4700 Approved
0.6429 Remote Similarity NPD4696 Approved
0.6422 Remote Similarity NPD7900 Approved
0.6422 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6421 Remote Similarity NPD6922 Approved
0.6421 Remote Similarity NPD6923 Approved
0.641 Remote Similarity NPD6013 Approved
0.641 Remote Similarity NPD6014 Approved
0.641 Remote Similarity NPD6012 Approved
0.641 Remote Similarity NPD4061 Clinical (unspecified phase)
0.64 Remote Similarity NPD7604 Phase 2
0.6396 Remote Similarity NPD6084 Phase 2
0.6396 Remote Similarity NPD6083 Phase 2
0.6389 Remote Similarity NPD7637 Suspended
0.6373 Remote Similarity NPD6902 Approved
0.6371 Remote Similarity NPD5983 Phase 2
0.6364 Remote Similarity NPD6940 Discontinued
0.6354 Remote Similarity NPD7143 Approved
0.6354 Remote Similarity NPD7144 Approved
0.6327 Remote Similarity NPD4784 Approved
0.6327 Remote Similarity NPD4785 Approved
0.6325 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6325 Remote Similarity NPD6011 Approved
0.6325 Remote Similarity NPD8174 Phase 2
0.6316 Remote Similarity NPD5226 Approved
0.6316 Remote Similarity NPD5224 Approved
0.6316 Remote Similarity NPD4633 Approved
0.6316 Remote Similarity NPD5211 Phase 2
0.6316 Remote Similarity NPD5225 Approved
0.6306 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6306 Remote Similarity NPD5222 Approved
0.6306 Remote Similarity NPD4697 Phase 3
0.6306 Remote Similarity NPD5221 Approved
0.6303 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6303 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6299 Remote Similarity NPD6336 Discontinued
0.6293 Remote Similarity NPD4767 Approved
0.6293 Remote Similarity NPD6008 Approved
0.6293 Remote Similarity NPD4768 Approved
0.6275 Remote Similarity NPD4748 Discontinued
0.6275 Remote Similarity NPD7332 Phase 2
0.6262 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6261 Remote Similarity NPD5174 Approved
0.6261 Remote Similarity NPD5175 Approved
0.625 Remote Similarity NPD5173 Approved
0.6238 Remote Similarity NPD6697 Approved
0.6238 Remote Similarity NPD6115 Approved
0.6238 Remote Similarity NPD6114 Approved
0.6238 Remote Similarity NPD6118 Approved
0.6228 Remote Similarity NPD5223 Approved
0.6228 Remote Similarity NPD4159 Approved
0.6228 Remote Similarity NPD5344 Discontinued
0.6218 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6214 Remote Similarity NPD6898 Phase 1
0.6207 Remote Similarity NPD5141 Approved
0.6204 Remote Similarity NPD4753 Phase 2
0.6204 Remote Similarity NPD6051 Approved
0.619 Remote Similarity NPD3666 Approved
0.619 Remote Similarity NPD3665 Phase 1
0.619 Remote Similarity NPD3133 Approved
0.6186 Remote Similarity NPD2254 Approved
0.6186 Remote Similarity NPD7532 Clinical (unspecified phase)
0.6186 Remote Similarity NPD4730 Approved
0.6186 Remote Similarity NPD2686 Approved
0.6186 Remote Similarity NPD4729 Approved
0.6186 Remote Similarity NPD2687 Approved
0.6139 Remote Similarity NPD6116 Phase 1
0.6121 Remote Similarity NPD4754 Approved
0.6111 Remote Similarity NPD6672 Approved
0.6111 Remote Similarity NPD5737 Approved
0.6107 Remote Similarity NPD5956 Approved
0.61 Remote Similarity NPD4190 Phase 3
0.61 Remote Similarity NPD5275 Approved
0.6098 Remote Similarity NPD6274 Approved
0.6095 Remote Similarity NPD3669 Approved

Structure

External Identifiers

PubChem CID   21599928
ChEMBL   CHEMBL504029
ZINC  

Physicochemical Properties

Molecular Weight:  620.43
ALogP:  1.0646
MLogP:  4.54
XLogP:  6.169
# Rotatable Bonds:  20
Polar Surface Area:  139.84
# H-Bond Aceptor:  8
# H-Bond Donor:  6
# Rings:  5
# Heavy Atoms:  44

Download Data

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