Natural Product: NPC473288

Natural Product ID:  NPC473288
Common Name:   Tinosinenside
IUPAC Name:  
Synonyms:   Tinosinenside
Molecular Formula:   C26H40O11
Standard InCHIKey:  XFLVPLJMLLCEOX-CHGLPPAKSA-N
Standard InCHI:  InChI=1S/C26H40O11/c1-11-7-13(28)17-15-12(5-6-25(17,4)16(11)15)24(2,3)37-22-20(31)19(30)18(29)14(36-22)8-34-23-21(32)26(33,9-27)10-35-23/h7,12,14-23,27,29-33H,5-6,8-10H2,1-4H3/t12-,14-,15?,16+,17-,18-,19+,20-,21+,22+,23-,25?,26-/m1/s1
Canonical SMILES:  OC[C@@]1(O)CO[C@H]([C@@H]1O)OC[C@H]1O[C@@H](OC([C@@H]2CCC3([C@@H]4C2[C@H]3C(=O)C=C4C)C)(C)C)[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
NPO15960 Tinospora sinensis Species Menispermaceae Eukaryota PMID[18020421]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 1900000 nM 19338315

  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 NPC473288 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
0.9 High Similarity NPC70733
0.9 High Similarity NPC56071
0.8889 High Similarity NPC108141
0.8857 High Similarity NPC272576
0.88 High Similarity NPC256230
0.8774 High Similarity NPC246205
0.875 High Similarity NPC100955
0.875 High Similarity NPC121566
0.8667 High Similarity NPC63023
0.8667 High Similarity NPC95243
0.8667 High Similarity NPC210178
0.8624 High Similarity NPC62696
0.8624 High Similarity NPC477944
0.8624 High Similarity NPC293038
0.8598 High Similarity NPC118225
0.8585 High Similarity NPC293512
0.8558 High Similarity NPC223834
0.8545 High Similarity NPC102088
0.8529 High Similarity NPC278506
0.8519 High Similarity NPC52241
0.8519 High Similarity NPC154856
0.8519 High Similarity NPC475317
0.8476 Intermediate Similarity NPC151516
0.8468 Intermediate Similarity NPC134869
0.8468 Intermediate Similarity NPC152199
0.8468 Intermediate Similarity NPC235539
0.8455 Intermediate Similarity NPC260665
0.8421 Intermediate Similarity NPC42675
0.8407 Intermediate Similarity NPC319570
0.8393 Intermediate Similarity NPC309433
0.8378 Intermediate Similarity NPC74727
0.8378 Intermediate Similarity NPC165439
0.8378 Intermediate Similarity NPC474906
0.8378 Intermediate Similarity NPC18547
0.8364 Intermediate Similarity NPC130427
0.8364 Intermediate Similarity NPC11252
0.8364 Intermediate Similarity NPC471967
0.8364 Intermediate Similarity NPC174836
0.8364 Intermediate Similarity NPC210420
0.8364 Intermediate Similarity NPC289312
0.8364 Intermediate Similarity NPC474265
0.8362 Intermediate Similarity NPC277191
0.8362 Intermediate Similarity NPC190846
0.8349 Intermediate Similarity NPC83005
0.8349 Intermediate Similarity NPC470065
0.8349 Intermediate Similarity NPC127153
0.8348 Intermediate Similarity NPC28532
0.8333 Intermediate Similarity NPC392
0.8333 Intermediate Similarity NPC219900
0.8333 Intermediate Similarity NPC177524
0.8319 Intermediate Similarity NPC297179
0.8318 Intermediate Similarity NPC162033
0.8304 Intermediate Similarity NPC302471
0.8304 Intermediate Similarity NPC31797
0.8288 Intermediate Similarity NPC471627
0.8288 Intermediate Similarity NPC471173
0.8288 Intermediate Similarity NPC75167
0.8288 Intermediate Similarity NPC311592
0.8288 Intermediate Similarity NPC178981
0.8276 Intermediate Similarity NPC238005
0.8276 Intermediate Similarity NPC1980
0.8276 Intermediate Similarity NPC141196
0.8273 Intermediate Similarity NPC201992
0.8261 Intermediate Similarity NPC202051
0.8246 Intermediate Similarity NPC190939
0.8246 Intermediate Similarity NPC473401
0.8246 Intermediate Similarity NPC197003
0.8246 Intermediate Similarity NPC161738
0.8246 Intermediate Similarity NPC473920
0.8224 Intermediate Similarity NPC223741
0.8214 Intermediate Similarity NPC474557
0.8214 Intermediate Similarity NPC473882
0.8214 Intermediate Similarity NPC477580
0.8214 Intermediate Similarity NPC181145
0.8214 Intermediate Similarity NPC471398
0.8205 Intermediate Similarity NPC473505
0.819 Intermediate Similarity NPC216866
0.8182 Intermediate Similarity NPC27551
0.8182 Intermediate Similarity NPC129340
0.8182 Intermediate Similarity NPC101450
0.8182 Intermediate Similarity NPC114961
0.8174 Intermediate Similarity NPC241192
0.8174 Intermediate Similarity NPC48692
0.8165 Intermediate Similarity NPC295389
0.8165 Intermediate Similarity NPC94942
0.8158 Intermediate Similarity NPC188667
0.8158 Intermediate Similarity NPC176005
0.8158 Intermediate Similarity NPC204552
0.8142 Intermediate Similarity NPC251236
0.8142 Intermediate Similarity NPC279638
0.8142 Intermediate Similarity NPC96312
0.8142 Intermediate Similarity NPC40632
0.8142 Intermediate Similarity NPC328374
0.8136 Intermediate Similarity NPC198714
0.8136 Intermediate Similarity NPC285091
0.8136 Intermediate Similarity NPC93368
0.8136 Intermediate Similarity NPC47113
0.8136 Intermediate Similarity NPC174367
0.8125 Intermediate Similarity NPC293658
0.8125 Intermediate Similarity NPC73455
0.8125 Intermediate Similarity NPC51978
0.8125 Intermediate Similarity NPC474410
0.8125 Intermediate Similarity NPC200944
0.8125 Intermediate Similarity NPC49451
0.812 Intermediate Similarity NPC227397
0.8108 Intermediate Similarity NPC250481
0.8108 Intermediate Similarity NPC285410
0.8108 Intermediate Similarity NPC263827
0.8103 Intermediate Similarity NPC249553
0.8103 Intermediate Similarity NPC182900
0.8095 Intermediate Similarity NPC40182
0.8095 Intermediate Similarity NPC198422
0.8091 Intermediate Similarity NPC57362
0.8091 Intermediate Similarity NPC167383
0.8091 Intermediate Similarity NPC237503
0.8091 Intermediate Similarity NPC306746
0.8091 Intermediate Similarity NPC137917
0.8091 Intermediate Similarity NPC204407
0.8091 Intermediate Similarity NPC265655
0.8087 Intermediate Similarity NPC475775
0.8087 Intermediate Similarity NPC161065
0.8087 Intermediate Similarity NPC122971
0.8087 Intermediate Similarity NPC476529
0.8087 Intermediate Similarity NPC279143
0.807 Intermediate Similarity NPC473968
0.8067 Intermediate Similarity NPC152091
0.8053 Intermediate Similarity NPC473798
0.8053 Intermediate Similarity NPC472274
0.8053 Intermediate Similarity NPC116024
0.8053 Intermediate Similarity NPC475633
0.8051 Intermediate Similarity NPC475194
0.8051 Intermediate Similarity NPC318135
0.8051 Intermediate Similarity NPC30188
0.8051 Intermediate Similarity NPC177820
0.8039 Intermediate Similarity NPC302584
0.8036 Intermediate Similarity NPC474516
0.8036 Intermediate Similarity NPC46388
0.8036 Intermediate Similarity NPC477253
0.8036 Intermediate Similarity NPC37739
0.8034 Intermediate Similarity NPC471965
0.8034 Intermediate Similarity NPC15918
0.8034 Intermediate Similarity NPC169816
0.8034 Intermediate Similarity NPC305771
0.8034 Intermediate Similarity NPC94072
0.802 Intermediate Similarity NPC473058
0.8019 Intermediate Similarity NPC167974
0.8018 Intermediate Similarity NPC474589
0.8018 Intermediate Similarity NPC475296
0.8018 Intermediate Similarity NPC220984
0.8018 Intermediate Similarity NPC279554
0.8018 Intermediate Similarity NPC29069
0.8018 Intermediate Similarity NPC136877
0.8018 Intermediate Similarity NPC56713
0.8018 Intermediate Similarity NPC199457
0.8018 Intermediate Similarity NPC102914
0.8018 Intermediate Similarity NPC474567
0.8018 Intermediate Similarity NPC476884
0.8018 Intermediate Similarity NPC476881
0.8018 Intermediate Similarity NPC476882
0.8018 Intermediate Similarity NPC174679
0.8018 Intermediate Similarity NPC476887
0.8018 Intermediate Similarity NPC108709
0.8018 Intermediate Similarity NPC75747
0.8018 Intermediate Similarity NPC90856
0.8018 Intermediate Similarity NPC269095
0.8018 Intermediate Similarity NPC476880
0.8018 Intermediate Similarity NPC110139
0.8018 Intermediate Similarity NPC164194
0.8018 Intermediate Similarity NPC7870
0.8018 Intermediate Similarity NPC270667
0.8018 Intermediate Similarity NPC476886
0.8018 Intermediate Similarity NPC127056
0.8018 Intermediate Similarity NPC78046
0.8018 Intermediate Similarity NPC59804
0.8018 Intermediate Similarity NPC274507
0.8018 Intermediate Similarity NPC68419
0.8018 Intermediate Similarity NPC476883
0.8018 Intermediate Similarity NPC476885
0.8017 Intermediate Similarity NPC107338
0.8017 Intermediate Similarity NPC112038
0.8017 Intermediate Similarity NPC308459
0.8017 Intermediate Similarity NPC109607
0.8 Intermediate Similarity NPC69273
0.8 Intermediate Similarity NPC168899
0.8 Intermediate Similarity NPC239547
0.8 Intermediate Similarity NPC96597
0.8 Intermediate Similarity NPC258323
0.8 Intermediate Similarity NPC234522
0.8 Intermediate Similarity NPC309503
0.8 Intermediate Similarity NPC239293
0.8 Intermediate Similarity NPC177246
0.8 Intermediate Similarity NPC155319
0.8 Intermediate Similarity NPC311534
0.8 Intermediate Similarity NPC475899
0.8 Intermediate Similarity NPC284807
0.8 Intermediate Similarity NPC475632
0.8 Intermediate Similarity NPC28198
0.8 Intermediate Similarity NPC293850
0.8 Intermediate Similarity NPC91197
0.8 Intermediate Similarity NPC125551

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC473288 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
0.8762 High Similarity NPD6412 Phase 2
0.8333 Intermediate Similarity NPD6686 Approved
0.8034 Intermediate Similarity NPD6370 Approved
0.7966 Intermediate Similarity NPD8328 Phase 3
0.7863 Intermediate Similarity NPD6054 Approved
0.7863 Intermediate Similarity NPD6059 Approved
0.7833 Intermediate Similarity NPD7507 Approved
0.7769 Intermediate Similarity NPD8293 Discontinued
0.7768 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.7705 Intermediate Similarity NPD7736 Approved
0.7647 Intermediate Similarity NPD6015 Approved
0.7647 Intermediate Similarity NPD6016 Approved
0.7642 Intermediate Similarity NPD7319 Approved
0.7603 Intermediate Similarity NPD7492 Approved
0.7583 Intermediate Similarity NPD5988 Approved
0.7565 Intermediate Similarity NPD6882 Approved
0.7541 Intermediate Similarity NPD6616 Approved
0.748 Intermediate Similarity NPD7078 Approved
0.7458 Intermediate Similarity NPD6009 Approved
0.7458 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.7417 Intermediate Similarity NPD6319 Approved
0.7414 Intermediate Similarity NPD8297 Approved
0.7377 Intermediate Similarity NPD6067 Discontinued
0.735 Intermediate Similarity NPD4632 Approved
0.735 Intermediate Similarity NPD8133 Approved
0.7345 Intermediate Similarity NPD6402 Approved
0.7345 Intermediate Similarity NPD6675 Approved
0.7345 Intermediate Similarity NPD7128 Approved
0.7345 Intermediate Similarity NPD5739 Approved
0.7304 Intermediate Similarity NPD6373 Approved
0.7304 Intermediate Similarity NPD6372 Approved
0.728 Intermediate Similarity NPD6033 Approved
0.725 Intermediate Similarity NPD7327 Approved
0.725 Intermediate Similarity NPD7328 Approved
0.7217 Intermediate Similarity NPD7320 Approved
0.7217 Intermediate Similarity NPD6899 Approved
0.7217 Intermediate Similarity NPD6881 Approved
0.7213 Intermediate Similarity NPD7503 Approved
0.7213 Intermediate Similarity NPD8517 Approved
0.7213 Intermediate Similarity NPD8516 Approved
0.7213 Intermediate Similarity NPD8513 Phase 3
0.7213 Intermediate Similarity NPD8515 Approved
0.719 Intermediate Similarity NPD7516 Approved
0.7182 Intermediate Similarity NPD6083 Phase 2
0.7182 Intermediate Similarity NPD4755 Approved
0.7182 Intermediate Similarity NPD6084 Phase 2
0.7179 Intermediate Similarity NPD6649 Approved
0.7179 Intermediate Similarity NPD6650 Approved
0.717 Intermediate Similarity NPD5328 Approved
0.7131 Intermediate Similarity NPD8377 Approved
0.7131 Intermediate Similarity NPD8294 Approved
0.713 Intermediate Similarity NPD5697 Approved
0.713 Intermediate Similarity NPD5701 Approved
0.7105 Intermediate Similarity NPD8170 Clinical (unspecified phase)
0.7094 Intermediate Similarity NPD4634 Approved
0.7094 Intermediate Similarity NPD6883 Approved
0.7094 Intermediate Similarity NPD7102 Approved
0.7094 Intermediate Similarity NPD7290 Approved
0.7073 Intermediate Similarity NPD8379 Approved
0.7073 Intermediate Similarity NPD8296 Approved
0.7073 Intermediate Similarity NPD8378 Approved
0.7073 Intermediate Similarity NPD8380 Approved
0.7073 Intermediate Similarity NPD8335 Approved
0.7073 Intermediate Similarity NPD8033 Approved
0.7054 Intermediate Similarity NPD4700 Approved
0.7054 Intermediate Similarity NPD5286 Approved
0.7054 Intermediate Similarity NPD5285 Approved
0.7054 Intermediate Similarity NPD4696 Approved
0.7043 Intermediate Similarity NPD6008 Approved
0.7037 Intermediate Similarity NPD6079 Approved
0.7034 Intermediate Similarity NPD6869 Approved
0.7034 Intermediate Similarity NPD8130 Phase 1
0.7034 Intermediate Similarity NPD6847 Approved
0.7034 Intermediate Similarity NPD6617 Approved
0.7019 Intermediate Similarity NPD3666 Approved
0.7019 Intermediate Similarity NPD3133 Approved
0.7019 Intermediate Similarity NPD3665 Phase 1
0.7009 Intermediate Similarity NPD6012 Approved
0.7009 Intermediate Similarity NPD4753 Phase 2
0.7009 Intermediate Similarity NPD6014 Approved
0.7009 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7009 Intermediate Similarity NPD6013 Approved
0.7 Intermediate Similarity NPD5695 Phase 3
0.6972 Remote Similarity NPD6399 Phase 3
0.696 Remote Similarity NPD7604 Phase 2
0.6944 Remote Similarity NPD46 Approved
0.6944 Remote Similarity NPD6698 Approved
0.6935 Remote Similarity NPD5983 Phase 2
0.693 Remote Similarity NPD5226 Approved
0.693 Remote Similarity NPD5211 Phase 2
0.693 Remote Similarity NPD5225 Approved
0.693 Remote Similarity NPD4633 Approved
0.693 Remote Similarity NPD5224 Approved
0.6923 Remote Similarity NPD6011 Approved
0.6923 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6909 Remote Similarity NPD5282 Discontinued
0.6909 Remote Similarity NPD7748 Approved
0.6899 Remote Similarity NPD5956 Approved
0.6897 Remote Similarity NPD4767 Approved
0.6897 Remote Similarity NPD4768 Approved
0.6891 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6891 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6887 Remote Similarity NPD6684 Approved
0.6887 Remote Similarity NPD7521 Approved
0.6887 Remote Similarity NPD5330 Approved
0.6887 Remote Similarity NPD7146 Approved
0.6887 Remote Similarity NPD6409 Approved
0.6887 Remote Similarity NPD3618 Phase 1
0.6887 Remote Similarity NPD7334 Approved
0.6881 Remote Similarity NPD7515 Phase 2
0.6881 Remote Similarity NPD6411 Approved
0.6875 Remote Similarity NPD7902 Approved
0.687 Remote Similarity NPD5174 Approved
0.687 Remote Similarity NPD5175 Approved
0.6857 Remote Similarity NPD4786 Approved
0.685 Remote Similarity NPD6336 Discontinued
0.6842 Remote Similarity NPD5223 Approved
0.6833 Remote Similarity NPD6053 Discontinued
0.6827 Remote Similarity NPD3667 Approved
0.6818 Remote Similarity NPD4202 Approved
0.6814 Remote Similarity NPD5696 Approved
0.6814 Remote Similarity NPD7638 Approved
0.681 Remote Similarity NPD5141 Approved
0.6807 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6786 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6786 Remote Similarity NPD5222 Approved
0.6786 Remote Similarity NPD4697 Phase 3
0.6786 Remote Similarity NPD5221 Approved
0.678 Remote Similarity NPD4730 Approved
0.678 Remote Similarity NPD4729 Approved
0.6769 Remote Similarity NPD6914 Discontinued
0.6759 Remote Similarity NPD6672 Approved
0.6759 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6759 Remote Similarity NPD5737 Approved
0.6759 Remote Similarity NPD6903 Approved
0.6754 Remote Similarity NPD7639 Approved
0.6754 Remote Similarity NPD7640 Approved
0.6748 Remote Similarity NPD7115 Discovery
0.6729 Remote Similarity NPD5279 Phase 3
0.6726 Remote Similarity NPD5173 Approved
0.6724 Remote Similarity NPD4754 Approved
0.6697 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6697 Remote Similarity NPD6101 Approved
0.6696 Remote Similarity NPD5210 Approved
0.6696 Remote Similarity NPD4629 Approved
0.6694 Remote Similarity NPD7641 Discontinued
0.6667 Remote Similarity NPD5248 Approved
0.6667 Remote Similarity NPD5247 Approved
0.6667 Remote Similarity NPD4223 Phase 3
0.6667 Remote Similarity NPD4221 Approved
0.6667 Remote Similarity NPD8074 Phase 3
0.6667 Remote Similarity NPD6274 Approved
0.6667 Remote Similarity NPD5251 Approved
0.6667 Remote Similarity NPD5250 Approved
0.6667 Remote Similarity NPD5249 Phase 3
0.6667 Remote Similarity NPD3573 Approved
0.664 Remote Similarity NPD7101 Approved
0.664 Remote Similarity NPD7100 Approved
0.6639 Remote Similarity NPD5128 Approved
0.6636 Remote Similarity NPD5329 Approved
0.6615 Remote Similarity NPD8337 Approved
0.6615 Remote Similarity NPD8336 Approved
0.6614 Remote Similarity NPD8080 Discontinued
0.6607 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6607 Remote Similarity NPD7900 Approved
0.6577 Remote Similarity NPD5281 Approved
0.6577 Remote Similarity NPD5284 Approved
0.6577 Remote Similarity NPD7983 Approved
0.656 Remote Similarity NPD6335 Approved
0.6555 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6549 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6545 Remote Similarity NPD6673 Approved
0.6545 Remote Similarity NPD6080 Approved
0.6545 Remote Similarity NPD6904 Approved
0.6542 Remote Similarity NPD4197 Approved
0.6535 Remote Similarity NPD6909 Approved
0.6535 Remote Similarity NPD6908 Approved
0.6529 Remote Similarity NPD6371 Approved
0.6522 Remote Similarity NPD4225 Approved
0.6522 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6518 Remote Similarity NPD5779 Approved
0.6518 Remote Similarity NPD5778 Approved
0.648 Remote Similarity NPD6317 Approved
0.648 Remote Similarity NPD8137 Clinical (unspecified phase)
0.6476 Remote Similarity NPD4695 Discontinued
0.6475 Remote Similarity NPD5217 Approved
0.6475 Remote Similarity NPD5215 Approved
0.6475 Remote Similarity NPD5216 Approved
0.6466 Remote Similarity NPD7260 Phase 2
0.6429 Remote Similarity NPD6313 Approved
0.6429 Remote Similarity NPD6050 Approved
0.6429 Remote Similarity NPD6314 Approved
0.6422 Remote Similarity NPD4689 Approved
0.6422 Remote Similarity NPD4693 Phase 3
0.6422 Remote Similarity NPD4688 Approved
0.6422 Remote Similarity NPD4694 Approved
0.6422 Remote Similarity NPD5690 Phase 2
0.6422 Remote Similarity NPD5205 Approved
0.6422 Remote Similarity NPD4623 Approved
0.6422 Remote Similarity NPD3574 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   44445505
ChEMBL   CHEMBL398270
ZINC  

Physicochemical Properties

Molecular Weight:  528.26
ALogP:  -2.3745
MLogP:  3.11
XLogP:  -0.218
# Rotatable Bonds:  17
Polar Surface Area:  175.37
# H-Bond Aceptor:  11
# H-Bond Donor:  6
# Rings:  3
# Heavy Atoms:  37

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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