Natural Product: NPC475354

Natural Product ID:  NPC475354
Common Name:   Minutoside A
IUPAC Name:   sodium;[(3S,5S,6S,8S,9R,10S,13R,14S,15R,17R)-6,8,15-trihydroxy-10,13-dimethyl-17-[(E,2R,5R)-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyhept-3-en-2-yl]-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] sulfate
Synonyms:  
Molecular Formula:   C32H54O12S.Na
Standard InCHIKey:  MBFUPVKKRMTACS-VXQSHKTJSA-M
Standard InCHI:  InChI=1S/C32H54O12S.Na/c1-16(2)24(43-29-27(37)26(36)23(35)15-42-29)7-6-17(3)19-13-21(33)28-31(19,5)11-9-25-30(4)10-8-18(44-45(39,40)41)12-20(30)22(34)14-32(25,28)38;/h6-7,16-29,33-38H,8-15H2,1-5H3,(H,39,40,41);/q;+1/p-1/b7-6+;/t17-,18+,19-,20-,21-,22+,23-,24+,25-,26+,27-,28-,29+,30+,31-,32+;/m1./s1
Canonical SMILES:  CC([C@@H](O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)/C=C/[C@H]([C@H]1C[C@H]([C@@H]2[C@]1(C)CC[C@H]1[C@@]2(O)C[C@@H]([C@@H]2[C@]1(C)CC[C@@H](C2)OS(=O)(=O)[O-])O)O)C)C.[Na+]
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
NPO7694 Anasterias minuta Species Asteriidae Eukaryota PMID[16124779]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT185 Organism Aspergillus flavus Aspergillus flavus IZ = 5 mm 18407692
NPT985 Organism Cladosporium cucumerinum Cladosporium cucumerinum IZ = 7 mm 16499318
NPT185 Organism Aspergillus flavus Aspergillus flavus IZ = 5 mm 16499318

  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 NPC475354 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
0.9252 High Similarity NPC216595
0.9252 High Similarity NPC473567
0.9252 High Similarity NPC475312
0.9151 High Similarity NPC473328
0.9151 High Similarity NPC473318
0.9151 High Similarity NPC28844
0.9074 High Similarity NPC477050
0.9065 High Similarity NPC65155
0.9065 High Similarity NPC170974
0.9065 High Similarity NPC191439
0.9065 High Similarity NPC103627
0.8972 High Similarity NPC472901
0.8962 High Similarity NPC33053
0.8952 High Similarity NPC312774
0.8952 High Similarity NPC475365
0.8899 High Similarity NPC231797
0.8879 High Similarity NPC472897
0.8879 High Similarity NPC235824
0.8879 High Similarity NPC472896
0.8868 High Similarity NPC472899
0.8868 High Similarity NPC472900
0.8868 High Similarity NPC472898
0.8846 High Similarity NPC309425
0.8846 High Similarity NPC47566
0.8846 High Similarity NPC4831
0.8846 High Similarity NPC129372
0.8846 High Similarity NPC160734
0.8846 High Similarity NPC88000
0.8846 High Similarity NPC472023
0.8807 High Similarity NPC473021
0.8807 High Similarity NPC208189
0.8807 High Similarity NPC472987
0.8807 High Similarity NPC65034
0.8785 High Similarity NPC231340
0.8785 High Similarity NPC473469
0.8774 High Similarity NPC93352
0.8762 High Similarity NPC136816
0.875 High Similarity NPC474418
0.875 High Similarity NPC93883
0.875 High Similarity NPC87250
0.875 High Similarity NPC157376
0.875 High Similarity NPC142066
0.875 High Similarity NPC471354
0.875 High Similarity NPC243196
0.875 High Similarity NPC471353
0.875 High Similarity NPC34390
0.875 High Similarity NPC100048
0.875 High Similarity NPC244402
0.875 High Similarity NPC196429
0.875 High Similarity NPC473200
0.875 High Similarity NPC471351
0.875 High Similarity NPC158344
0.875 High Similarity NPC309034
0.875 High Similarity NPC471355
0.875 High Similarity NPC50305
0.875 High Similarity NPC99728
0.875 High Similarity NPC20979
0.875 High Similarity NPC77319
0.875 High Similarity NPC84987
0.875 High Similarity NPC473852
0.875 High Similarity NPC7341
0.875 High Similarity NPC27507
0.875 High Similarity NPC476690
0.8716 High Similarity NPC472717
0.8704 High Similarity NPC80210
0.8704 High Similarity NPC38376
0.8704 High Similarity NPC475634
0.8684 High Similarity NPC475556
0.8684 High Similarity NPC475629
0.8679 High Similarity NPC286969
0.8679 High Similarity NPC131479
0.8679 High Similarity NPC16520
0.8679 High Similarity NPC31907
0.8679 High Similarity NPC155010
0.8679 High Similarity NPC472252
0.8679 High Similarity NPC8039
0.8679 High Similarity NPC157659
0.8679 High Similarity NPC473020
0.8679 High Similarity NPC473198
0.8679 High Similarity NPC245280
0.8679 High Similarity NPC211879
0.8679 High Similarity NPC213190
0.8679 High Similarity NPC189852
0.8679 High Similarity NPC120123
0.8679 High Similarity NPC114874
0.8673 High Similarity NPC83287
0.8673 High Similarity NPC10366
0.8667 High Similarity NPC285231
0.8667 High Similarity NPC21568
0.8661 High Similarity NPC99620
0.8661 High Similarity NPC193382
0.8661 High Similarity NPC5311
0.8661 High Similarity NPC310341
0.8661 High Similarity NPC199428
0.8654 High Similarity NPC234287
0.8654 High Similarity NPC280825
0.8636 High Similarity NPC472715
0.8636 High Similarity NPC13190
0.8624 High Similarity NPC195116
0.8624 High Similarity NPC250089
0.8624 High Similarity NPC14630
0.8624 High Similarity NPC285253
0.8624 High Similarity NPC221110
0.8624 High Similarity NPC180459
0.8624 High Similarity NPC157530
0.8624 High Similarity NPC474573
0.8611 High Similarity NPC226642
0.8609 High Similarity NPC314535
0.8609 High Similarity NPC173555
0.8598 High Similarity NPC273879
0.8598 High Similarity NPC75608
0.8598 High Similarity NPC165033
0.8596 High Similarity NPC5883
0.8596 High Similarity NPC236973
0.8596 High Similarity NPC55532
0.8596 High Similarity NPC469756
0.8596 High Similarity NPC30483
0.8596 High Similarity NPC29639
0.8596 High Similarity NPC44899
0.8596 High Similarity NPC292467
0.8596 High Similarity NPC470897
0.8596 High Similarity NPC304260
0.8596 High Similarity NPC32177
0.8585 High Similarity NPC312553
0.8585 High Similarity NPC37207
0.8585 High Similarity NPC159036
0.8585 High Similarity NPC288694
0.8584 High Similarity NPC152615
0.8571 High Similarity NPC69576
0.8571 High Similarity NPC471633
0.8571 High Similarity NPC31354
0.8571 High Similarity NPC84949
0.8559 High Similarity NPC112274
0.8559 High Similarity NPC472716
0.8534 High Similarity NPC264336
0.8532 High Similarity NPC7213
0.8522 High Similarity NPC474466
0.8522 High Similarity NPC475136
0.8522 High Similarity NPC72260
0.8519 High Similarity NPC473476
0.8519 High Similarity NPC473923
0.8519 High Similarity NPC269627
0.8519 High Similarity NPC160816
0.8519 High Similarity NPC208477
0.8519 High Similarity NPC127801
0.8519 High Similarity NPC69737
0.8519 High Similarity NPC242748
0.8519 High Similarity NPC26798
0.8519 High Similarity NPC473199
0.8519 High Similarity NPC194842
0.8519 High Similarity NPC152584
0.8519 High Similarity NPC208594
0.8509 High Similarity NPC476692
0.8509 High Similarity NPC476691
0.8505 High Similarity NPC473123
0.8505 High Similarity NPC16573
0.8505 High Similarity NPC471887
0.8505 High Similarity NPC471886
0.8505 High Similarity NPC471885
0.8505 High Similarity NPC471888
0.8505 High Similarity NPC473124
0.8482 Intermediate Similarity NPC51154
0.8468 Intermediate Similarity NPC110494
0.8468 Intermediate Similarity NPC157474
0.8462 Intermediate Similarity NPC208193
0.8462 Intermediate Similarity NPC308262
0.8462 Intermediate Similarity NPC117445
0.8462 Intermediate Similarity NPC472989
0.8455 Intermediate Similarity NPC128133
0.8448 Intermediate Similarity NPC475590
0.8448 Intermediate Similarity NPC474908
0.8448 Intermediate Similarity NPC120390
0.8448 Intermediate Similarity NPC40749
0.8448 Intermediate Similarity NPC231518
0.8448 Intermediate Similarity NPC475419
0.8448 Intermediate Similarity NPC475219
0.8447 Intermediate Similarity NPC473503
0.844 Intermediate Similarity NPC181467
0.844 Intermediate Similarity NPC14946
0.844 Intermediate Similarity NPC63368
0.844 Intermediate Similarity NPC208650
0.8435 Intermediate Similarity NPC329905
0.8426 Intermediate Similarity NPC470885
0.8426 Intermediate Similarity NPC221562
0.8426 Intermediate Similarity NPC187400
0.8426 Intermediate Similarity NPC475521
0.8426 Intermediate Similarity NPC110656
0.8426 Intermediate Similarity NPC473127
0.8426 Intermediate Similarity NPC203354
0.8421 Intermediate Similarity NPC203862
0.8421 Intermediate Similarity NPC290693
0.8411 Intermediate Similarity NPC300399
0.8411 Intermediate Similarity NPC471482
0.8407 Intermediate Similarity NPC11548
0.8393 Intermediate Similarity NPC473125
0.8393 Intermediate Similarity NPC476305
0.8381 Intermediate Similarity NPC477226
0.8376 Intermediate Similarity NPC193893
0.8376 Intermediate Similarity NPC474423
0.8376 Intermediate Similarity NPC74259

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC475354 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
0.8673 High Similarity NPD7328 Approved
0.8673 High Similarity NPD7327 Approved
0.8609 High Similarity NPD8379 Approved
0.8609 High Similarity NPD8296 Approved
0.8609 High Similarity NPD8378 Approved
0.8609 High Similarity NPD8335 Approved
0.8609 High Similarity NPD8380 Approved
0.8596 High Similarity NPD7516 Approved
0.8522 High Similarity NPD8377 Approved
0.8522 High Similarity NPD8294 Approved
0.8448 Intermediate Similarity NPD8033 Approved
0.8136 Intermediate Similarity NPD7503 Approved
0.8017 Intermediate Similarity NPD7507 Approved
0.7967 Intermediate Similarity NPD7319 Approved
0.7692 Intermediate Similarity NPD8133 Approved
0.75 Intermediate Similarity NPD8171 Discontinued
0.7478 Intermediate Similarity NPD6412 Phase 2
0.7265 Intermediate Similarity NPD6686 Approved
0.7188 Intermediate Similarity NPD7736 Approved
0.7168 Intermediate Similarity NPD7638 Approved
0.7105 Intermediate Similarity NPD7639 Approved
0.7105 Intermediate Similarity NPD7640 Approved
0.7063 Intermediate Similarity NPD6370 Approved
0.7019 Intermediate Similarity NPD7525 Registered
0.6929 Remote Similarity NPD7625 Phase 1
0.6917 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6905 Remote Similarity NPD6054 Approved
0.6881 Remote Similarity NPD7524 Approved
0.6864 Remote Similarity NPD8170 Clinical (unspecified phase)
0.6857 Remote Similarity NPD6928 Phase 2
0.6846 Remote Similarity NPD8293 Discontinued
0.6772 Remote Similarity NPD6059 Approved
0.6759 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6748 Remote Similarity NPD6882 Approved
0.6748 Remote Similarity NPD8297 Approved
0.6744 Remote Similarity NPD8328 Phase 3
0.6719 Remote Similarity NPD8517 Approved
0.6719 Remote Similarity NPD6016 Approved
0.6719 Remote Similarity NPD8515 Approved
0.6719 Remote Similarity NPD8516 Approved
0.6719 Remote Similarity NPD8513 Phase 3
0.6719 Remote Similarity NPD6015 Approved
0.6716 Remote Similarity NPD8449 Approved
0.6692 Remote Similarity NPD7492 Approved
0.6667 Remote Similarity NPD7115 Discovery
0.6667 Remote Similarity NPD6695 Phase 3
0.6667 Remote Similarity NPD6009 Approved
0.6667 Remote Similarity NPD5988 Approved
0.6667 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6667 Remote Similarity NPD8450 Suspended
0.6641 Remote Similarity NPD6319 Approved
0.6641 Remote Similarity NPD6616 Approved
0.6615 Remote Similarity NPD6067 Discontinued
0.661 Remote Similarity NPD4159 Approved
0.6591 Remote Similarity NPD7078 Approved
0.6577 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6577 Remote Similarity NPD7750 Discontinued
0.656 Remote Similarity NPD4632 Approved
0.6557 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6555 Remote Similarity NPD7632 Discontinued
0.6504 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6471 Remote Similarity NPD5344 Discontinued
0.646 Remote Similarity NPD6051 Approved
0.6449 Remote Similarity NPD7645 Phase 2
0.6423 Remote Similarity NPD6881 Approved
0.6423 Remote Similarity NPD6899 Approved
0.64 Remote Similarity NPD8413 Clinical (unspecified phase)
0.64 Remote Similarity NPD6649 Approved
0.64 Remote Similarity NPD6650 Approved
0.64 Remote Similarity NPD8130 Phase 1
0.6393 Remote Similarity NPD6402 Approved
0.6393 Remote Similarity NPD5739 Approved
0.6393 Remote Similarity NPD6675 Approved
0.6393 Remote Similarity NPD7128 Approved
0.6389 Remote Similarity NPD6930 Phase 2
0.6389 Remote Similarity NPD6931 Approved
0.6389 Remote Similarity NPD7514 Phase 3
0.6371 Remote Similarity NPD6373 Approved
0.6371 Remote Similarity NPD6372 Approved
0.6341 Remote Similarity NPD5697 Approved
0.6321 Remote Similarity NPD3701 Clinical (unspecified phase)
0.632 Remote Similarity NPD7290 Approved
0.632 Remote Similarity NPD6883 Approved
0.632 Remote Similarity NPD4634 Approved
0.632 Remote Similarity NPD5955 Clinical (unspecified phase)
0.632 Remote Similarity NPD7102 Approved
0.6303 Remote Similarity NPD4225 Approved
0.6296 Remote Similarity NPD6929 Approved
0.6296 Remote Similarity NPD6033 Approved
0.629 Remote Similarity NPD7320 Approved
0.6281 Remote Similarity NPD5211 Phase 2
0.627 Remote Similarity NPD6617 Approved
0.627 Remote Similarity NPD6847 Approved
0.627 Remote Similarity NPD6869 Approved
0.6262 Remote Similarity NPD6932 Approved
0.625 Remote Similarity NPD5286 Approved
0.625 Remote Similarity NPD5285 Approved
0.625 Remote Similarity NPD4696 Approved
0.6241 Remote Similarity NPD7604 Phase 2
0.624 Remote Similarity NPD6012 Approved
0.624 Remote Similarity NPD6014 Approved
0.624 Remote Similarity NPD6013 Approved
0.6239 Remote Similarity NPD7332 Phase 2
0.6226 Remote Similarity NPD7339 Approved
0.6226 Remote Similarity NPD6942 Approved
0.6218 Remote Similarity NPD4755 Approved
0.6214 Remote Similarity NPD4267 Clinical (unspecified phase)
0.6212 Remote Similarity NPD5983 Phase 2
0.621 Remote Similarity NPD5701 Approved
0.6207 Remote Similarity NPD7087 Discontinued
0.6207 Remote Similarity NPD8035 Phase 2
0.6207 Remote Similarity NPD8034 Phase 2
0.6207 Remote Similarity NPD7637 Suspended
0.6204 Remote Similarity NPD7145 Approved
0.6186 Remote Similarity NPD7991 Discontinued
0.6182 Remote Similarity NPD6902 Approved
0.6179 Remote Similarity NPD5141 Approved
0.6168 Remote Similarity NPD6933 Approved
0.6167 Remote Similarity NPD8029 Clinical (unspecified phase)
0.616 Remote Similarity NPD6011 Approved
0.6154 Remote Similarity NPD4202 Approved
0.6148 Remote Similarity NPD5225 Approved
0.6148 Remote Similarity NPD5226 Approved
0.6148 Remote Similarity NPD4633 Approved
0.6148 Remote Similarity NPD5224 Approved
0.6148 Remote Similarity NPD6336 Discontinued
0.6142 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6136 Remote Similarity NPD7741 Discontinued
0.6132 Remote Similarity NPD4784 Approved
0.6132 Remote Similarity NPD4785 Approved
0.6116 Remote Similarity NPD4700 Approved
0.6116 Remote Similarity NPD6648 Approved
0.6111 Remote Similarity NPD5776 Phase 2
0.6111 Remote Similarity NPD6925 Approved
0.6106 Remote Similarity NPD6893 Approved
0.6103 Remote Similarity NPD8074 Phase 3
0.6098 Remote Similarity NPD5174 Approved
0.6098 Remote Similarity NPD5175 Approved
0.6095 Remote Similarity NPD4243 Approved
0.6094 Remote Similarity NPD6053 Discontinued
0.609 Remote Similarity NPD6921 Approved
0.6083 Remote Similarity NPD6084 Phase 2
0.6083 Remote Similarity NPD6083 Phase 2
0.608 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6066 Remote Similarity NPD5223 Approved
0.6032 Remote Similarity NPD4729 Approved
0.6032 Remote Similarity NPD4730 Approved
0.6017 Remote Similarity NPD6399 Phase 3
0.6 Remote Similarity NPD4768 Approved
0.6 Remote Similarity NPD6640 Phase 3
0.6 Remote Similarity NPD6008 Approved
0.6 Remote Similarity NPD6683 Phase 2
0.6 Remote Similarity NPD4767 Approved
0.5983 Remote Similarity NPD3168 Discontinued
0.5983 Remote Similarity NPD7838 Discovery
0.5981 Remote Similarity NPD1811 Approved
0.5981 Remote Similarity NPD6926 Approved
0.5981 Remote Similarity NPD1810 Approved
0.5981 Remote Similarity NPD6924 Approved
0.5971 Remote Similarity NPD5956 Approved
0.5968 Remote Similarity NPD4754 Approved
0.5966 Remote Similarity NPD7748 Approved
0.5965 Remote Similarity NPD7520 Clinical (unspecified phase)
0.5951 Remote Similarity NPD7799 Discontinued
0.595 Remote Similarity NPD7902 Approved
0.5946 Remote Similarity NPD4748 Discontinued
0.594 Remote Similarity NPD7100 Approved
0.594 Remote Similarity NPD7101 Approved
0.5938 Remote Similarity NPD5249 Phase 3
0.5938 Remote Similarity NPD5247 Approved
0.5938 Remote Similarity NPD5251 Approved
0.5938 Remote Similarity NPD5248 Approved
0.5938 Remote Similarity NPD5250 Approved
0.5932 Remote Similarity NPD6079 Approved
0.5926 Remote Similarity NPD5125 Phase 3
0.5926 Remote Similarity NPD5126 Approved
0.5909 Remote Similarity NPD6317 Approved
0.5897 Remote Similarity NPD4753 Phase 2
0.5897 Remote Similarity NPD5328 Approved
0.5893 Remote Similarity NPD6898 Phase 1
0.5877 Remote Similarity NPD4786 Approved
0.5865 Remote Similarity NPD6335 Approved
0.5856 Remote Similarity NPD4195 Approved
0.5847 Remote Similarity NPD6698 Approved
0.5847 Remote Similarity NPD46 Approved
0.5847 Remote Similarity NPD7136 Phase 2
0.5833 Remote Similarity NPD6940 Discontinued
0.5833 Remote Similarity NPD6274 Approved
0.5827 Remote Similarity NPD7899 Clinical (unspecified phase)
0.5814 Remote Similarity NPD5134 Clinical (unspecified phase)
0.5814 Remote Similarity NPD5135 Approved
0.5814 Remote Similarity NPD6371 Approved
0.5812 Remote Similarity NPD7513 Clinical (unspecified phase)
0.5804 Remote Similarity NPD7509 Discontinued
0.5798 Remote Similarity NPD7515 Phase 2
0.5794 Remote Similarity NPD7150 Approved
0.5794 Remote Similarity NPD7152 Approved
0.5794 Remote Similarity NPD7151 Approved
0.5785 Remote Similarity NPD4629 Approved
0.5785 Remote Similarity NPD5210 Approved

Structure

External Identifiers

PubChem CID   44559195
ChEMBL   CHEMBL503996
ZINC  

Physicochemical Properties

Molecular Weight:  661.33
ALogP:  -2.5821
MLogP:  3.55
XLogP:  1.78
# Rotatable Bonds:  20
Polar Surface Area:  214.65
# H-Bond Aceptor:  12
# H-Bond Donor:  6
# Rings:  5
# Heavy Atoms:  45

Download Data

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