Natural Product: NPC473734

Natural Product ID:  NPC473734
Common Name:   Mimengoside G
IUPAC Name:   (2S,3R,4S,5R)-2-[(2R,3S,4R,5R,6S)-6-[(2R,3R,4S,5S,6R)-2-[[(3S,4R,4aR,6aS,6bR,8aS,12aS,14bS)-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a-dodecahydropicen-3-yl]oxy]-3,5-dihydroxy-6-methyloxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
Synonyms:   Mimengoside G
Molecular Formula:   C47H76O16
Standard InCHIKey:  NBOLTJBFBQWADJ-IQWBYJDBSA-N
Standard InCHI:  InChI=1S/C47H76O16/c1-23-31(52)38(63-40-35(56)33(54)37(27(19-48)60-40)62-39-34(55)32(53)26(51)20-58-39)36(57)41(59-23)61-30-11-12-43(4)28(44(30,5)21-49)10-13-46(7)29(43)9-8-24-25-18-42(2,3)14-16-47(25,22-50)17-15-45(24,46)6/h8-9,23,25-28,30-41,48-57H,10-22H2,1-7H3/t23-,25+,26-,27-,28-,30+,31+,32+,33-,34-,35-,36-,37-,38+,39+,40+,41+,43+,44+,45-,46-,47-/m1/s1
Canonical SMILES:  OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O[C@@H]([C@@H]2O)C)O[C@H]2CC[C@]3([C@H]([C@]2(C)CO)CC[C@@]2(C3=CC=C3[C@@]2(C)CC[C@@]2([C@H]3CC(C)(C)CC2)CO)C)C)[C@@H]([C@H]([C@@H]1O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)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
NPO11577 Buddleja officinalis Species Scrophulariaceae Eukaryota Flower buds PMID[14738377]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT116 Cell Line HL-60 Homo sapiens IC50 = 29400 nM 12502316

  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 NPC473734 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 NPC230948
0.9897 High Similarity NPC138057
0.9792 High Similarity NPC76497
0.9792 High Similarity NPC213674
0.9792 High Similarity NPC256133
0.9792 High Similarity NPC30289
0.9691 High Similarity NPC123796
0.9688 High Similarity NPC117714
0.9688 High Similarity NPC263756
0.9596 High Similarity NPC257964
0.9592 High Similarity NPC471435
0.9592 High Similarity NPC148603
0.9592 High Similarity NPC471434
0.95 High Similarity NPC126147
0.9495 High Similarity NPC470512
0.9495 High Similarity NPC173859
0.94 High Similarity NPC281939
0.94 High Similarity NPC78034
0.9394 High Similarity NPC57065
0.9394 High Similarity NPC109792
0.9394 High Similarity NPC54521
0.9293 High Similarity NPC473129
0.9293 High Similarity NPC162354
0.9293 High Similarity NPC99627
0.92 High Similarity NPC110656
0.92 High Similarity NPC473127
0.92 High Similarity NPC173583
0.92 High Similarity NPC203354
0.9109 High Similarity NPC269627
0.9109 High Similarity NPC69737
0.9109 High Similarity NPC160816
0.9109 High Similarity NPC208477
0.9109 High Similarity NPC194842
0.9109 High Similarity NPC127801
0.9109 High Similarity NPC208594
0.9109 High Similarity NPC152584
0.91 High Similarity NPC473124
0.91 High Similarity NPC473123
0.902 High Similarity NPC190395
0.902 High Similarity NPC14946
0.902 High Similarity NPC208650
0.902 High Similarity NPC181467
0.902 High Similarity NPC63368
0.9 High Similarity NPC159036
0.9 High Similarity NPC312553
0.9 High Similarity NPC288694
0.8952 High Similarity NPC471383
0.8952 High Similarity NPC257468
0.8952 High Similarity NPC139044
0.8952 High Similarity NPC469946
0.8952 High Similarity NPC292677
0.8952 High Similarity NPC109079
0.8952 High Similarity NPC10320
0.8952 High Similarity NPC475504
0.8952 High Similarity NPC104400
0.8952 High Similarity NPC101744
0.8952 High Similarity NPC104071
0.8952 High Similarity NPC102439
0.8952 High Similarity NPC475516
0.8952 High Similarity NPC473373
0.8952 High Similarity NPC276093
0.8952 High Similarity NPC324875
0.8952 High Similarity NPC79718
0.8932 High Similarity NPC246124
0.8932 High Similarity NPC159005
0.8932 High Similarity NPC6931
0.8932 High Similarity NPC220427
0.8932 High Similarity NPC180183
0.8922 High Similarity NPC309448
0.8911 High Similarity NPC286969
0.8911 High Similarity NPC31907
0.8911 High Similarity NPC189852
0.8911 High Similarity NPC155010
0.8911 High Similarity NPC473020
0.8911 High Similarity NPC245280
0.8911 High Similarity NPC114874
0.8911 High Similarity NPC16520
0.8911 High Similarity NPC8039
0.8911 High Similarity NPC472252
0.8911 High Similarity NPC211879
0.8911 High Similarity NPC120123
0.8911 High Similarity NPC16573
0.8911 High Similarity NPC131479
0.8911 High Similarity NPC157659
0.8868 High Similarity NPC323341
0.8868 High Similarity NPC151543
0.8868 High Similarity NPC150400
0.8868 High Similarity NPC124296
0.8868 High Similarity NPC251263
0.8868 High Similarity NPC114304
0.8868 High Similarity NPC166422
0.8868 High Similarity NPC473826
0.8868 High Similarity NPC114287
0.8868 High Similarity NPC241909
0.8868 High Similarity NPC155410
0.8868 High Similarity NPC295823
0.8868 High Similarity NPC96641
0.8868 High Similarity NPC73318
0.8868 High Similarity NPC163183
0.8868 High Similarity NPC475287
0.8868 High Similarity NPC46665
0.8868 High Similarity NPC309714
0.8868 High Similarity NPC475467
0.8868 High Similarity NPC473343
0.8868 High Similarity NPC133818
0.8868 High Similarity NPC134835
0.8868 High Similarity NPC192600
0.8868 High Similarity NPC258885
0.8868 High Similarity NPC219180
0.8868 High Similarity NPC174720
0.8866 High Similarity NPC477927
0.8866 High Similarity NPC72817
0.8866 High Similarity NPC305160
0.8857 High Similarity NPC164419
0.8857 High Similarity NPC110494
0.8857 High Similarity NPC157474
0.8846 High Similarity NPC302057
0.8824 High Similarity NPC165033
0.8824 High Similarity NPC470885
0.8824 High Similarity NPC187400
0.8824 High Similarity NPC273879
0.8824 High Similarity NPC221562
0.88 High Similarity NPC473790
0.88 High Similarity NPC473200
0.88 High Similarity NPC7341
0.88 High Similarity NPC64348
0.8785 High Similarity NPC79643
0.8785 High Similarity NPC227551
0.8785 High Similarity NPC473714
0.8785 High Similarity NPC250247
0.8785 High Similarity NPC164389
0.8785 High Similarity NPC236638
0.8785 High Similarity NPC204414
0.8785 High Similarity NPC65105
0.8785 High Similarity NPC43550
0.8785 High Similarity NPC4328
0.8785 High Similarity NPC475486
0.8785 High Similarity NPC67857
0.8785 High Similarity NPC476068
0.8785 High Similarity NPC161717
0.8785 High Similarity NPC261506
0.8785 High Similarity NPC100639
0.8785 High Similarity NPC60557
0.8785 High Similarity NPC76972
0.8785 High Similarity NPC475140
0.8785 High Similarity NPC294453
0.8785 High Similarity NPC298034
0.8785 High Similarity NPC119592
0.8785 High Similarity NPC305981
0.8785 High Similarity NPC293330
0.8785 High Similarity NPC123199
0.8785 High Similarity NPC71065
0.8785 High Similarity NPC70809
0.8785 High Similarity NPC309907
0.8785 High Similarity NPC471385
0.8785 High Similarity NPC57484
0.8785 High Similarity NPC475160
0.8785 High Similarity NPC471550
0.8785 High Similarity NPC202828
0.8785 High Similarity NPC224381
0.8785 High Similarity NPC41061
0.8785 High Similarity NPC469782
0.8785 High Similarity NPC54636
0.8774 High Similarity NPC139894
0.8774 High Similarity NPC473383
0.8774 High Similarity NPC476305
0.8762 High Similarity NPC164194
0.8762 High Similarity NPC59804
0.8762 High Similarity NPC127056
0.8762 High Similarity NPC174679
0.8762 High Similarity NPC475296
0.8762 High Similarity NPC270667
0.8762 High Similarity NPC56713
0.8762 High Similarity NPC136877
0.8762 High Similarity NPC279554
0.8762 High Similarity NPC29069
0.8762 High Similarity NPC474589
0.8762 High Similarity NPC90856
0.8738 High Similarity NPC242748
0.8713 High Similarity NPC88000
0.8713 High Similarity NPC129372
0.8713 High Similarity NPC309425
0.8713 High Similarity NPC4831
0.8713 High Similarity NPC472023
0.8713 High Similarity NPC160734
0.8713 High Similarity NPC47566
0.8704 High Similarity NPC471384
0.8704 High Similarity NPC26626
0.8704 High Similarity NPC160415
0.8704 High Similarity NPC51465
0.8704 High Similarity NPC75287
0.8704 High Similarity NPC305267
0.8704 High Similarity NPC476992
0.8704 High Similarity NPC58448
0.8704 High Similarity NPC37134
0.8704 High Similarity NPC161674
0.8704 High Similarity NPC291903
0.8704 High Similarity NPC288205
0.87 High Similarity NPC234287
0.87 High Similarity NPC280825

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC473734 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
0.8017 Intermediate Similarity NPD8328 Phase 3
0.7913 Intermediate Similarity NPD8377 Approved
0.7913 Intermediate Similarity NPD8294 Approved
0.7845 Intermediate Similarity NPD8296 Approved
0.7845 Intermediate Similarity NPD8335 Approved
0.7845 Intermediate Similarity NPD8380 Approved
0.7845 Intermediate Similarity NPD8378 Approved
0.7845 Intermediate Similarity NPD8379 Approved
0.7818 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.7807 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.7699 Intermediate Similarity NPD8133 Approved
0.7692 Intermediate Similarity NPD8033 Approved
0.7604 Intermediate Similarity NPD7645 Phase 2
0.7542 Intermediate Similarity NPD7503 Approved
0.75 Intermediate Similarity NPD8171 Discontinued
0.7477 Intermediate Similarity NPD6412 Phase 2
0.7436 Intermediate Similarity NPD7327 Approved
0.7436 Intermediate Similarity NPD7328 Approved
0.7373 Intermediate Similarity NPD7516 Approved
0.7107 Intermediate Similarity NPD8513 Phase 3
0.7107 Intermediate Similarity NPD8517 Approved
0.7107 Intermediate Similarity NPD8516 Approved
0.7107 Intermediate Similarity NPD8515 Approved
0.7105 Intermediate Similarity NPD6686 Approved
0.7031 Intermediate Similarity NPD8450 Suspended
0.7016 Intermediate Similarity NPD7507 Approved
0.6953 Remote Similarity NPD8449 Approved
0.6944 Remote Similarity NPD7748 Approved
0.6909 Remote Similarity NPD7902 Approved
0.685 Remote Similarity NPD7319 Approved
0.6842 Remote Similarity NPD8170 Clinical (unspecified phase)
0.6832 Remote Similarity NPD7525 Registered
0.6772 Remote Similarity NPD7736 Approved
0.6759 Remote Similarity NPD7515 Phase 2
0.6698 Remote Similarity NPD7524 Approved
0.664 Remote Similarity NPD6370 Approved
0.6636 Remote Similarity NPD7900 Approved
0.6636 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6571 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6562 Remote Similarity NPD8293 Discontinued
0.6549 Remote Similarity NPD7638 Approved
0.6491 Remote Similarity NPD7639 Approved
0.6491 Remote Similarity NPD7640 Approved
0.648 Remote Similarity NPD6059 Approved
0.648 Remote Similarity NPD6054 Approved
0.6476 Remote Similarity NPD6695 Phase 3
0.6457 Remote Similarity NPD6067 Discontinued
0.64 Remote Similarity NPD1811 Approved
0.64 Remote Similarity NPD1810 Approved
0.6389 Remote Similarity NPD7750 Discontinued
0.6364 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6346 Remote Similarity NPD6928 Phase 2
0.6337 Remote Similarity NPD6942 Approved
0.6337 Remote Similarity NPD7339 Approved
0.6311 Remote Similarity NPD6882 Approved
0.6311 Remote Similarity NPD8297 Approved
0.6306 Remote Similarity NPD8034 Phase 2
0.6306 Remote Similarity NPD8035 Phase 2
0.6299 Remote Similarity NPD6015 Approved
0.6299 Remote Similarity NPD6016 Approved
0.6279 Remote Similarity NPD7492 Approved
0.6275 Remote Similarity NPD6933 Approved
0.6275 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6261 Remote Similarity NPD8029 Clinical (unspecified phase)
0.625 Remote Similarity NPD5988 Approved
0.625 Remote Similarity NPD6929 Approved
0.624 Remote Similarity NPD6009 Approved
0.6231 Remote Similarity NPD6616 Approved
0.622 Remote Similarity NPD6319 Approved
0.6216 Remote Similarity NPD3168 Discontinued
0.6198 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6197 Remote Similarity NPD7625 Phase 1
0.619 Remote Similarity NPD6930 Phase 2
0.619 Remote Similarity NPD6931 Approved
0.6183 Remote Similarity NPD8074 Phase 3
0.6183 Remote Similarity NPD7078 Approved
0.6176 Remote Similarity NPD8264 Approved
0.6161 Remote Similarity NPD6411 Approved
0.6129 Remote Similarity NPD4632 Approved
0.6121 Remote Similarity NPD4225 Approved
0.6116 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6106 Remote Similarity NPD6399 Phase 3
0.61 Remote Similarity NPD2687 Approved
0.61 Remote Similarity NPD2254 Approved
0.61 Remote Similarity NPD2686 Approved
0.6083 Remote Similarity NPD6402 Approved
0.6083 Remote Similarity NPD7128 Approved
0.6083 Remote Similarity NPD5739 Approved
0.6083 Remote Similarity NPD6675 Approved
0.6078 Remote Similarity NPD6926 Approved
0.6078 Remote Similarity NPD6924 Approved
0.6071 Remote Similarity NPD7838 Discovery
0.6066 Remote Similarity NPD6372 Approved
0.6066 Remote Similarity NPD6373 Approved
0.6058 Remote Similarity NPD6925 Approved
0.6058 Remote Similarity NPD5776 Phase 2
0.6058 Remote Similarity NPD6932 Approved
0.6055 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6048 Remote Similarity NPD6430 Approved
0.6048 Remote Similarity NPD6429 Approved
0.6038 Remote Similarity NPD7509 Discontinued
0.6019 Remote Similarity NPD3670 Clinical (unspecified phase)
0.6019 Remote Similarity NPD3669 Approved
0.6018 Remote Similarity NPD7087 Discontinued
0.6017 Remote Similarity NPD5344 Discontinued
0.6016 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6015 Remote Similarity NPD6033 Approved
0.6 Remote Similarity NPD7145 Approved
0.6 Remote Similarity NPD3618 Phase 1
0.5984 Remote Similarity NPD6881 Approved
0.5984 Remote Similarity NPD6899 Approved
0.5984 Remote Similarity NPD7115 Discovery
0.5984 Remote Similarity NPD7320 Approved
0.5982 Remote Similarity NPD5328 Approved
0.5982 Remote Similarity NPD6101 Approved
0.5982 Remote Similarity NPD5764 Clinical (unspecified phase)
0.5968 Remote Similarity NPD6650 Approved
0.5968 Remote Similarity NPD6649 Approved
0.5968 Remote Similarity NPD8130 Phase 1
0.5966 Remote Similarity NPD7632 Discontinued
0.5963 Remote Similarity NPD4786 Approved
0.5946 Remote Similarity NPD4751 Clinical (unspecified phase)
0.5943 Remote Similarity NPD6683 Phase 2
0.5941 Remote Similarity NPD7532 Clinical (unspecified phase)
0.5932 Remote Similarity NPD6648 Approved
0.5926 Remote Similarity NPD3667 Approved
0.5909 Remote Similarity NPD6893 Approved
0.5903 Remote Similarity NPD6674 Discontinued
0.5902 Remote Similarity NPD5701 Approved
0.5902 Remote Similarity NPD5697 Approved
0.5897 Remote Similarity NPD4755 Approved
0.5888 Remote Similarity NPD7332 Phase 2
0.5888 Remote Similarity NPD7514 Phase 3
0.5887 Remote Similarity NPD7102 Approved
0.5887 Remote Similarity NPD7290 Approved
0.5887 Remote Similarity NPD4634 Approved
0.5887 Remote Similarity NPD6883 Approved
0.5882 Remote Similarity NPD7152 Approved
0.5882 Remote Similarity NPD7151 Approved
0.5882 Remote Similarity NPD7150 Approved
0.5878 Remote Similarity NPD5126 Approved
0.5878 Remote Similarity NPD5125 Phase 3
0.5877 Remote Similarity NPD6079 Approved
0.5877 Remote Similarity NPD7983 Approved
0.5877 Remote Similarity NPD7637 Suspended
0.5842 Remote Similarity NPD4267 Clinical (unspecified phase)
0.5842 Remote Similarity NPD6922 Approved
0.5842 Remote Similarity NPD6923 Approved
0.5841 Remote Similarity NPD7285 Clinical (unspecified phase)
0.584 Remote Similarity NPD6847 Approved
0.584 Remote Similarity NPD6617 Approved
0.584 Remote Similarity NPD6869 Approved
0.5833 Remote Similarity NPD6902 Approved
0.5833 Remote Similarity NPD7604 Phase 2
0.5833 Remote Similarity NPD6898 Phase 1
0.5826 Remote Similarity NPD5778 Approved
0.5826 Remote Similarity NPD4202 Approved
0.5826 Remote Similarity NPD5779 Approved
0.582 Remote Similarity NPD5357 Phase 1
0.5806 Remote Similarity NPD6014 Approved
0.5806 Remote Similarity NPD6012 Approved
0.5806 Remote Similarity NPD6013 Approved
0.5802 Remote Similarity NPD5983 Phase 2
0.5798 Remote Similarity NPD4700 Approved
0.5798 Remote Similarity NPD5286 Approved
0.5798 Remote Similarity NPD4696 Approved
0.5798 Remote Similarity NPD5285 Approved
0.5789 Remote Similarity NPD6698 Approved
0.5789 Remote Similarity NPD46 Approved
0.5784 Remote Similarity NPD7144 Approved
0.5784 Remote Similarity NPD7143 Approved
0.5772 Remote Similarity NPD5954 Clinical (unspecified phase)
0.5763 Remote Similarity NPD6083 Phase 2
0.5763 Remote Similarity NPD6084 Phase 2
0.5752 Remote Similarity NPD7513 Clinical (unspecified phase)
0.575 Remote Similarity NPD4159 Approved
0.5746 Remote Similarity NPD6336 Discontinued
0.5728 Remote Similarity NPD4243 Approved
0.5726 Remote Similarity NPD6011 Approved
0.5726 Remote Similarity NPD7991 Discontinued
0.5714 Remote Similarity NPD6401 Clinical (unspecified phase)
0.5704 Remote Similarity NPD8448 Approved
0.5702 Remote Similarity NPD4633 Approved
0.5702 Remote Similarity NPD5224 Approved
0.5702 Remote Similarity NPD5225 Approved
0.5702 Remote Similarity NPD5211 Phase 2
0.5702 Remote Similarity NPD5226 Approved
0.5693 Remote Similarity NPD8392 Approved
0.5693 Remote Similarity NPD8391 Approved
0.5693 Remote Similarity NPD8390 Approved
0.5691 Remote Similarity NPD4768 Approved
0.5691 Remote Similarity NPD6640 Phase 3
0.5691 Remote Similarity NPD6008 Approved
0.5691 Remote Similarity NPD4767 Approved
0.5682 Remote Similarity NPD6921 Approved
0.5678 Remote Similarity NPD4697 Phase 3
0.5678 Remote Similarity NPD5221 Approved
0.5678 Remote Similarity NPD5220 Clinical (unspecified phase)
0.5678 Remote Similarity NPD5222 Approved
0.5676 Remote Similarity NPD6400 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   44566641
ChEMBL   CHEMBL450550
ZINC  

Physicochemical Properties

Molecular Weight:  896.51
ALogP:  -3.0591
MLogP:  4.87
XLogP:  2.742
# Rotatable Bonds:  26
Polar Surface Area:  257.68
# H-Bond Aceptor:  16
# H-Bond Donor:  10
# Rings:  8
# Heavy Atoms:  63

Download Data

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