Natural Product: NPC207978

Natural Product ID:  NPC207978
Common Name:   Tinosposinenside A
IUPAC Name:   [(2S,4aR,6aR,10S,10aS,10bS)-2-(furan-3-yl)-10b-methyl-4,7-dioxo-6a-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,4a,5,6,8,9,10,10a-octahydro-1H-benzo[f]isochromen-10-yl] acetate
Synonyms:  
Molecular Formula:   C27H36O12
Standard InCHIKey:  OZBWLDZUMGKCEP-JWXWVHOGSA-N
Standard InCHI:  InChI=1S/C27H36O12/c1-13(29)37-16-3-4-19(30)27(12-36-25-22(33)21(32)20(31)18(10-28)39-25)7-5-15-24(34)38-17(14-6-8-35-11-14)9-26(15,2)23(16)27/h6,8,11,15-18,20-23,25,28,31-33H,3-5,7,9-10,12H2,1-2H3/t15-,16-,17-,18+,20+,21-,22+,23-,25+,26+,27+/m0/s1
Canonical SMILES:  OC[C@H]1O[C@@H](OC[C@]23CC[C@@H]4[C@@]([C@@H]3[C@H](CCC2=O)OC(=O)C)(C)C[C@H](OC4=O)c2cocc2)[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 = 2900000 nM 8463795

  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 NPC207978 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
0.9739 High Similarity NPC211777
0.9737 High Similarity NPC262872
0.9677 High Similarity NPC93172
0.9677 High Similarity NPC97574
0.9675 High Similarity NPC198047
0.9494 High Similarity NPC82602
0.949 High Similarity NPC100333
0.9481 High Similarity NPC307383
0.9313 High Similarity NPC169299
0.9313 High Similarity NPC160818
0.9299 High Similarity NPC477405
0.9241 High Similarity NPC470182
0.9236 High Similarity NPC69028
0.9236 High Similarity NPC200782
0.9167 High Similarity NPC45101
0.9161 High Similarity NPC469336
0.9161 High Similarity NPC35000
0.9156 High Similarity NPC469503
0.9119 High Similarity NPC146991
0.9119 High Similarity NPC276551
0.9114 High Similarity NPC263432
0.9114 High Similarity NPC82851
0.9097 High Similarity NPC178932
0.9097 High Similarity NPC282445
0.9097 High Similarity NPC30222
0.9062 High Similarity NPC470875
0.9057 High Similarity NPC472773
0.9057 High Similarity NPC292389
0.9057 High Similarity NPC469338
0.9051 High Similarity NPC477402
0.9045 High Similarity NPC249021
0.9038 High Similarity NPC264943
0.9032 High Similarity NPC476940
0.9032 High Similarity NPC476201
0.9032 High Similarity NPC476939
0.9032 High Similarity NPC147168
0.9024 High Similarity NPC262386
0.9006 High Similarity NPC472282
0.9 High Similarity NPC470940
0.9 High Similarity NPC469849
0.8994 High Similarity NPC5079
0.8994 High Similarity NPC472771
0.8951 High Similarity NPC471397
0.8938 High Similarity NPC134254
0.8938 High Similarity NPC39986
0.8938 High Similarity NPC234660
0.8938 High Similarity NPC419
0.8938 High Similarity NPC51568
0.8938 High Similarity NPC302369
0.8931 High Similarity NPC335761
0.8931 High Similarity NPC25255
0.8924 High Similarity NPC472772
0.8917 High Similarity NPC281258
0.8917 High Similarity NPC476262
0.8903 High Similarity NPC477404
0.8903 High Similarity NPC159927
0.8903 High Similarity NPC196864
0.8903 High Similarity NPC476122
0.8903 High Similarity NPC469335
0.8896 High Similarity NPC7388
0.8896 High Similarity NPC476941
0.8896 High Similarity NPC476942
0.8889 High Similarity NPC472774
0.8889 High Similarity NPC173516
0.8889 High Similarity NPC472775
0.8882 High Similarity NPC476856
0.8882 High Similarity NPC123088
0.8882 High Similarity NPC271657
0.8882 High Similarity NPC476858
0.8882 High Similarity NPC476857
0.8875 High Similarity NPC193798
0.8875 High Similarity NPC329938
0.8875 High Similarity NPC117986
0.8868 High Similarity NPC475967
0.8868 High Similarity NPC477403
0.8834 High Similarity NPC271235
0.8834 High Similarity NPC160651
0.8831 High Similarity NPC476938
0.8831 High Similarity NPC470941
0.8831 High Similarity NPC476937
0.8827 High Similarity NPC472141
0.882 High Similarity NPC472139
0.8812 High Similarity NPC472653
0.8805 High Similarity NPC472777
0.8805 High Similarity NPC472778
0.8805 High Similarity NPC472283
0.8805 High Similarity NPC286722
0.8805 High Similarity NPC299038
0.8805 High Similarity NPC472776
0.8797 High Similarity NPC214541
0.8797 High Similarity NPC44675
0.879 High Similarity NPC44577
0.8773 High Similarity NPC476853
0.8773 High Similarity NPC476861
0.8773 High Similarity NPC472651
0.8773 High Similarity NPC476850
0.8758 High Similarity NPC18347
0.8758 High Similarity NPC188649
0.8758 High Similarity NPC149896
0.8758 High Similarity NPC476944
0.8758 High Similarity NPC290400
0.8758 High Similarity NPC96443
0.875 High Similarity NPC475295
0.875 High Similarity NPC474611
0.875 High Similarity NPC473473
0.8742 High Similarity NPC469485
0.8742 High Similarity NPC107646
0.8742 High Similarity NPC209364
0.872 High Similarity NPC472652
0.8718 High Similarity NPC472654
0.8718 High Similarity NPC69647
0.8718 High Similarity NPC125182
0.8718 High Similarity NPC195325
0.8712 High Similarity NPC307781
0.8712 High Similarity NPC475779
0.8712 High Similarity NPC472670
0.8712 High Similarity NPC23387
0.871 High Similarity NPC250228
0.8704 High Similarity NPC88841
0.8704 High Similarity NPC288602
0.8701 High Similarity NPC41182
0.8696 High Similarity NPC305016
0.8696 High Similarity NPC475381
0.8688 High Similarity NPC167142
0.8688 High Similarity NPC36655
0.8688 High Similarity NPC173544
0.8688 High Similarity NPC261597
0.8679 High Similarity NPC469850
0.8671 High Similarity NPC75906
0.865 High Similarity NPC476860
0.8642 High Similarity NPC470939
0.8639 High Similarity NPC470938
0.8634 High Similarity NPC475226
0.8634 High Similarity NPC237155
0.8625 High Similarity NPC60973
0.8625 High Similarity NPC126723
0.8616 High Similarity NPC57998
0.8614 High Similarity NPC159232
0.8609 High Similarity NPC476943
0.8608 High Similarity NPC18135
0.8606 High Similarity NPC296558
0.8606 High Similarity NPC472673
0.8598 High Similarity NPC214600
0.8598 High Similarity NPC121995
0.859 High Similarity NPC255414
0.8589 High Similarity NPC476197
0.858 High Similarity NPC470789
0.8571 High Similarity NPC187149
0.8571 High Similarity NPC194499
0.8571 High Similarity NPC88007
0.8562 High Similarity NPC296807
0.8562 High Similarity NPC92979
0.8562 High Similarity NPC141538
0.8562 High Similarity NPC155939
0.8553 High Similarity NPC294511
0.8553 High Similarity NPC33938
0.8553 High Similarity NPC121615
0.8544 High Similarity NPC46551
0.8544 High Similarity NPC476936
0.8544 High Similarity NPC470997
0.8537 High Similarity NPC472664
0.8528 High Similarity NPC68848
0.8528 High Similarity NPC18986
0.8528 High Similarity NPC470792
0.8526 High Similarity NPC346
0.8516 High Similarity NPC137295
0.8516 High Similarity NPC142113
0.8512 High Similarity NPC471437
0.8509 High Similarity NPC263265
0.8506 High Similarity NPC121158
0.85 High Similarity NPC302054
0.85 High Similarity NPC253201
0.8494 Intermediate Similarity NPC472766
0.8494 Intermediate Similarity NPC472765
0.8481 Intermediate Similarity NPC234494
0.8476 Intermediate Similarity NPC469846
0.8476 Intermediate Similarity NPC165218
0.8471 Intermediate Similarity NPC216755
0.8471 Intermediate Similarity NPC221809
0.8471 Intermediate Similarity NPC471174
0.8471 Intermediate Similarity NPC10088
0.8466 Intermediate Similarity NPC287559
0.8462 Intermediate Similarity NPC5676
0.8457 Intermediate Similarity NPC197137
0.8457 Intermediate Similarity NPC195954
0.8452 Intermediate Similarity NPC476946
0.8443 Intermediate Similarity NPC470995
0.8438 Intermediate Similarity NPC472672
0.8438 Intermediate Similarity NPC268905
0.8434 Intermediate Similarity NPC472764
0.8434 Intermediate Similarity NPC473753
0.8434 Intermediate Similarity NPC473766
0.8428 Intermediate Similarity NPC156189
0.8421 Intermediate Similarity NPC310830
0.8415 Intermediate Similarity NPC472767
0.8415 Intermediate Similarity NPC79571
0.8412 Intermediate Similarity NPC472665
0.8408 Intermediate Similarity NPC262198
0.8405 Intermediate Similarity NPC472671
0.8402 Intermediate Similarity NPC94763

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC207978 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
0.8333 Intermediate Similarity NPD5761 Phase 2
0.8333 Intermediate Similarity NPD5760 Phase 2
0.8114 Intermediate Similarity NPD8434 Phase 2
0.8035 Intermediate Similarity NPD6559 Discontinued
0.7943 Intermediate Similarity NPD8313 Approved
0.7943 Intermediate Similarity NPD8312 Approved
0.7751 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7706 Intermediate Similarity NPD5537 Clinical (unspecified phase)
0.7657 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7637 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7614 Intermediate Similarity NPD7074 Phase 3
0.76 Intermediate Similarity NPD3818 Discontinued
0.7557 Intermediate Similarity NPD7054 Approved
0.7514 Intermediate Similarity NPD7472 Approved
0.7485 Intermediate Similarity NPD4628 Phase 3
0.7471 Intermediate Similarity NPD7819 Suspended
0.7471 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7442 Intermediate Similarity NPD7075 Discontinued
0.743 Intermediate Similarity NPD7251 Discontinued
0.743 Intermediate Similarity NPD6764 Approved
0.743 Intermediate Similarity NPD6765 Approved
0.7401 Intermediate Similarity NPD7228 Approved
0.7389 Intermediate Similarity NPD7808 Phase 3
0.7389 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7374 Intermediate Similarity NPD6797 Phase 2
0.7368 Intermediate Similarity NPD8455 Phase 2
0.7363 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7356 Intermediate Similarity NPD5494 Approved
0.7337 Intermediate Similarity NPD7458 Discontinued
0.7305 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7303 Intermediate Similarity NPD7799 Discontinued
0.7294 Intermediate Similarity NPD4380 Phase 2
0.7294 Intermediate Similarity NPD6599 Discontinued
0.7268 Intermediate Similarity NPD6785 Approved
0.7268 Intermediate Similarity NPD6784 Approved
0.724 Intermediate Similarity NPD7435 Discontinued
0.7238 Intermediate Similarity NPD7685 Pre-registration
0.7238 Intermediate Similarity NPD7240 Approved
0.7236 Intermediate Similarity NPD8404 Phase 2
0.7225 Intermediate Similarity NPD5402 Approved
0.7209 Intermediate Similarity NPD37 Approved
0.7209 Intermediate Similarity NPD6801 Discontinued
0.7195 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7184 Intermediate Similarity NPD4966 Approved
0.7184 Intermediate Similarity NPD4967 Phase 2
0.7184 Intermediate Similarity NPD4965 Approved
0.7184 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7167 Intermediate Similarity NPD5844 Phase 1
0.7151 Intermediate Similarity NPD7411 Suspended
0.7143 Intermediate Similarity NPD3749 Approved
0.7135 Intermediate Similarity NPD3226 Approved
0.7126 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7119 Intermediate Similarity NPD8127 Discontinued
0.7119 Intermediate Similarity NPD7199 Phase 2
0.7118 Intermediate Similarity NPD5403 Approved
0.7118 Intermediate Similarity NPD920 Approved
0.7108 Intermediate Similarity NPD5619 Clinical (unspecified phase)
0.7102 Intermediate Similarity NPD6234 Discontinued
0.7101 Intermediate Similarity NPD5401 Approved
0.7095 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7095 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7095 Intermediate Similarity NPD6166 Phase 2
0.7091 Intermediate Similarity NPD2346 Discontinued
0.7083 Intermediate Similarity NPD6780 Approved
0.7083 Intermediate Similarity NPD6776 Approved
0.7083 Intermediate Similarity NPD6781 Approved
0.7083 Intermediate Similarity NPD6777 Approved
0.7083 Intermediate Similarity NPD6778 Approved
0.7083 Intermediate Similarity NPD6779 Approved
0.7083 Intermediate Similarity NPD6782 Approved
0.7071 Intermediate Similarity NPD7783 Phase 2
0.7071 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7069 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7062 Intermediate Similarity NPD7697 Approved
0.7062 Intermediate Similarity NPD7696 Phase 3
0.7062 Intermediate Similarity NPD7698 Approved
0.7059 Intermediate Similarity NPD6273 Approved
0.7059 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7056 Intermediate Similarity NPD7473 Discontinued
0.7056 Intermediate Similarity NPD8151 Discontinued
0.7043 Intermediate Similarity NPD8150 Discontinued
0.7041 Intermediate Similarity NPD6799 Approved
0.7035 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7029 Intermediate Similarity NPD3817 Phase 2
0.7026 Intermediate Similarity NPD8320 Phase 1
0.7026 Intermediate Similarity NPD8319 Approved
0.7022 Intermediate Similarity NPD6959 Discontinued
0.702 Intermediate Similarity NPD7874 Approved
0.702 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7018 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7017 Intermediate Similarity NPD3751 Discontinued
0.7011 Intermediate Similarity NPD1934 Approved
0.7005 Intermediate Similarity NPD7701 Phase 2
0.7 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.6995 Remote Similarity NPD7993 Clinical (unspecified phase)
0.6983 Remote Similarity NPD3787 Discontinued
0.6964 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6944 Remote Similarity NPD7184 Clinical (unspecified phase)
0.6939 Remote Similarity NPD7871 Phase 2
0.6939 Remote Similarity NPD7870 Phase 2
0.6935 Remote Similarity NPD8407 Phase 2
0.6923 Remote Similarity NPD6823 Phase 2
0.691 Remote Similarity NPD919 Approved
0.6906 Remote Similarity NPD7852 Clinical (unspecified phase)
0.6905 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6901 Remote Similarity NPD2532 Approved
0.6901 Remote Similarity NPD2533 Approved
0.6901 Remote Similarity NPD2534 Approved
0.69 Remote Similarity NPD7801 Approved
0.6893 Remote Similarity NPD3882 Suspended
0.6891 Remote Similarity NPD7699 Phase 2
0.6891 Remote Similarity NPD7700 Phase 2
0.6889 Remote Similarity NPD6232 Discontinued
0.6882 Remote Similarity NPD643 Clinical (unspecified phase)
0.6875 Remote Similarity NPD1465 Phase 2
0.6867 Remote Similarity NPD2799 Discontinued
0.6865 Remote Similarity NPD8368 Discontinued
0.6864 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6845 Remote Similarity NPD1549 Phase 2
0.6842 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6829 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6826 Remote Similarity NPD6100 Approved
0.6826 Remote Similarity NPD1551 Phase 2
0.6826 Remote Similarity NPD6099 Approved
0.6826 Remote Similarity NPD2796 Approved
0.6823 Remote Similarity NPD6534 Approved
0.6823 Remote Similarity NPD6535 Approved
0.6813 Remote Similarity NPD1049 Clinical (unspecified phase)
0.681 Remote Similarity NPD2313 Discontinued
0.6807 Remote Similarity NPD7097 Phase 1
0.6802 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6798 Remote Similarity NPD7768 Phase 2
0.6793 Remote Similarity NPD8470 Clinical (unspecified phase)
0.679 Remote Similarity NPD6832 Phase 2
0.6788 Remote Similarity NPD1933 Approved
0.6786 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6786 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6786 Remote Similarity NPD1471 Phase 3
0.6786 Remote Similarity NPD7266 Discontinued
0.6784 Remote Similarity NPD7236 Approved
0.678 Remote Similarity NPD2801 Approved
0.6771 Remote Similarity NPD6213 Phase 3
0.6771 Remote Similarity NPD6212 Phase 3
0.6771 Remote Similarity NPD6214 Clinical (unspecified phase)
0.6766 Remote Similarity NPD7033 Discontinued
0.6765 Remote Similarity NPD3750 Approved
0.6748 Remote Similarity NPD5952 Clinical (unspecified phase)
0.674 Remote Similarity NPD1247 Approved
0.6739 Remote Similarity NPD7893 Clinical (unspecified phase)
0.6717 Remote Similarity NPD7680 Approved
0.6716 Remote Similarity NPD7930 Approved
0.6706 Remote Similarity NPD2800 Approved
0.6706 Remote Similarity NPD1243 Approved
0.6706 Remote Similarity NPD6674 Discontinued
0.6705 Remote Similarity NPD7410 Clinical (unspecified phase)
0.67 Remote Similarity NPD7584 Approved
0.6687 Remote Similarity NPD6355 Discontinued
0.6686 Remote Similarity NPD7239 Suspended
0.6686 Remote Similarity NPD2344 Approved
0.6686 Remote Similarity NPD5763 Approved
0.6686 Remote Similarity NPD5762 Approved
0.6684 Remote Similarity NPD7237 Clinical (unspecified phase)
0.6683 Remote Similarity NPD8155 Clinical (unspecified phase)
0.6667 Remote Similarity NPD3748 Approved
0.6667 Remote Similarity NPD3926 Phase 2
0.6667 Remote Similarity NPD2798 Approved
0.665 Remote Similarity NPD7999 Approved
0.6647 Remote Similarity NPD970 Clinical (unspecified phase)
0.6627 Remote Similarity NPD2935 Discontinued
0.6625 Remote Similarity NPD1608 Approved
0.6617 Remote Similarity NPD7583 Approved
0.6615 Remote Similarity NPD8360 Approved
0.6615 Remote Similarity NPD8361 Approved
0.6615 Remote Similarity NPD8435 Approved
0.6612 Remote Similarity NPD7229 Phase 3
0.661 Remote Similarity NPD7028 Phase 2
0.6606 Remote Similarity NPD3268 Approved
0.6606 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6605 Remote Similarity NPD7319 Approved
0.6599 Remote Similarity NPD8285 Discontinued
0.6591 Remote Similarity NPD1653 Approved
0.6588 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6588 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6588 Remote Similarity NPD6004 Phase 3
0.6588 Remote Similarity NPD6005 Phase 3
0.6588 Remote Similarity NPD6002 Phase 3
0.6587 Remote Similarity NPD447 Suspended
0.6584 Remote Similarity NPD7585 Approved
0.657 Remote Similarity NPD7003 Approved
0.6568 Remote Similarity NPD1510 Phase 2
0.6564 Remote Similarity NPD5647 Approved
0.6562 Remote Similarity NPD1091 Approved
0.6552 Remote Similarity NPD1511 Approved
0.655 Remote Similarity NPD7497 Discontinued
0.6536 Remote Similarity NPD6844 Discontinued
0.6532 Remote Similarity NPD2309 Approved
0.6524 Remote Similarity NPD7907 Approved
0.6522 Remote Similarity NPD5710 Approved
0.6522 Remote Similarity NPD7507 Approved
0.6522 Remote Similarity NPD5711 Approved

Structure

External Identifiers

PubChem CID   24763076
ChEMBL   CHEMBL253131
ZINC  

Physicochemical Properties

Molecular Weight:  552.22
ALogP:  -3.1326
MLogP:  3.11
XLogP:  -0.119
# Rotatable Bonds:  13
Polar Surface Area:  182.19
# H-Bond Aceptor:  11
# H-Bond Donor:  4
# Rings:  5
# Heavy Atoms:  39

Download Data

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