Natural Product: NPC476361

Natural Product ID:  NPC476361
Common Name:   Floralginsenoside Tc
IUPAC Name:   (2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-17-[(2S)-5-hydroperoxy-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyhept-6-en-2-yl]-6,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Synonyms:   Floralginsenoside Tc
Molecular Formula:   C53H90O25
Standard InCHIKey:  OWFZFDMBILZALY-JKEQEFOKSA-N
Standard InCHI:  InChI=1S/C53H90O25/c1-21(2)26(78-69)10-14-53(8,77-48-43(68)39(64)36(61)29(75-48)19-71-45-40(65)33(58)25(57)18-70-45)22-9-13-51(6)32(22)23(55)15-30-50(5)12-11-31(49(3,4)44(50)24(56)16-52(30,51)7)76-47-42(67)38(63)35(60)28(74-47)20-72-46-41(66)37(62)34(59)27(17-54)73-46/h22-48,54-69H,1,9-20H2,2-8H3/t22-,23+,24-,25-,26?,27+,28+,29+,30+,31-,32-,33-,34+,35+,36+,37-,38-,39-,40+,41+,42+,43+,44-,45-,46+,47-,48-,50+,51+,52+,53-/m0/s1
Canonical SMILES:  OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](O[C@H]3CC[C@]4([C@H](C3(C)C)[C@@H](O)C[C@@]3([C@@H]4C[C@@H](O)[C@H]4[C@@]3(C)CC[C@@H]4[C@@](O[C@@H]3O[C@H](CO[C@@H]4OC[C@@H]([C@@H]([C@H]4O)O)O)[C@H]([C@@H]([C@H]3O)O)O)(CCC(C(=C)C)OO)C)C)C)[C@@H]([C@H]([C@@H]2O)O)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
NPO29141 Panax ginseng Species Araliaceae Eukaryota Flower buds PMID[19926279]

  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 = 100000 nM 17850214

  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 NPC476361 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 NPC476360
0.94 High Similarity NPC208650
0.94 High Similarity NPC14946
0.94 High Similarity NPC63368
0.9307 High Similarity NPC6931
0.9307 High Similarity NPC159005
0.9307 High Similarity NPC246124
0.9307 High Similarity NPC180183
0.93 High Similarity NPC69737
0.93 High Similarity NPC127801
0.93 High Similarity NPC194842
0.93 High Similarity NPC208594
0.93 High Similarity NPC208477
0.93 High Similarity NPC160816
0.93 High Similarity NPC269627
0.93 High Similarity NPC152584
0.9271 High Similarity NPC472989
0.9208 High Similarity NPC181467
0.9135 High Similarity NPC472716
0.9118 High Similarity NPC220427
0.9118 High Similarity NPC49032
0.9118 High Similarity NPC125324
0.9118 High Similarity NPC51172
0.91 High Similarity NPC155010
0.91 High Similarity NPC120123
0.91 High Similarity NPC473020
0.91 High Similarity NPC189852
0.91 High Similarity NPC114874
0.91 High Similarity NPC286969
0.91 High Similarity NPC472252
0.91 High Similarity NPC16520
0.91 High Similarity NPC131479
0.91 High Similarity NPC211879
0.91 High Similarity NPC8039
0.91 High Similarity NPC157659
0.91 High Similarity NPC31907
0.91 High Similarity NPC245280
0.9038 High Similarity NPC472715
0.9029 High Similarity NPC302057
0.9029 High Similarity NPC151134
0.902 High Similarity NPC190395
0.902 High Similarity NPC231340
0.901 High Similarity NPC165033
0.901 High Similarity NPC475521
0.901 High Similarity NPC273879
0.9 High Similarity NPC159036
0.9 High Similarity NPC312553
0.9 High Similarity NPC288694
0.8942 High Similarity NPC472717
0.8942 High Similarity NPC470867
0.8932 High Similarity NPC475634
0.8922 High Similarity NPC309448
0.8911 High Similarity NPC16573
0.89 High Similarity NPC129372
0.89 High Similarity NPC160734
0.89 High Similarity NPC88000
0.89 High Similarity NPC309425
0.89 High Similarity NPC4831
0.89 High Similarity NPC47566
0.89 High Similarity NPC472023
0.8857 High Similarity NPC65167
0.8846 High Similarity NPC474573
0.8835 High Similarity NPC54619
0.8824 High Similarity NPC470885
0.8824 High Similarity NPC187400
0.8824 High Similarity NPC221562
0.8812 High Similarity NPC136816
0.88 High Similarity NPC7341
0.88 High Similarity NPC473200
0.88 High Similarity NPC91497
0.8796 High Similarity NPC20979
0.8788 High Similarity NPC76486
0.8785 High Similarity NPC469821
0.875 High Similarity NPC472897
0.875 High Similarity NPC235824
0.875 High Similarity NPC38217
0.875 High Similarity NPC472896
0.875 High Similarity NPC472988
0.8738 High Similarity NPC472900
0.8738 High Similarity NPC472899
0.8738 High Similarity NPC472898
0.8725 High Similarity NPC473198
0.8725 High Similarity NPC123796
0.8725 High Similarity NPC213190
0.8716 High Similarity NPC10366
0.8713 High Similarity NPC31346
0.8704 High Similarity NPC472718
0.8704 High Similarity NPC146652
0.87 High Similarity NPC234287
0.87 High Similarity NPC280825
0.8692 High Similarity NPC476693
0.8692 High Similarity NPC476671
0.8679 High Similarity NPC204392
0.8679 High Similarity NPC473021
0.8679 High Similarity NPC1876
0.8679 High Similarity NPC275668
0.8679 High Similarity NPC240734
0.8679 High Similarity NPC91838
0.8679 High Similarity NPC472987
0.8673 High Similarity NPC305418
0.8667 High Similarity NPC296761
0.8667 High Similarity NPC43976
0.8667 High Similarity NPC154085
0.8667 High Similarity NPC51925
0.8667 High Similarity NPC125361
0.8654 High Similarity NPC473469
0.8654 High Similarity NPC94272
0.8654 High Similarity NPC234160
0.8646 High Similarity NPC131466
0.8641 High Similarity NPC148603
0.8627 High Similarity NPC76497
0.8627 High Similarity NPC30289
0.8627 High Similarity NPC213674
0.8627 High Similarity NPC256133
0.8624 High Similarity NPC100048
0.8624 High Similarity NPC476690
0.8611 High Similarity NPC477810
0.8586 High Similarity NPC477494
0.8571 High Similarity NPC476513
0.8571 High Similarity NPC7213
0.8571 High Similarity NPC172838
0.8571 High Similarity NPC137004
0.8559 High Similarity NPC135369
0.8558 High Similarity NPC470512
0.8558 High Similarity NPC473199
0.8558 High Similarity NPC165405
0.8558 High Similarity NPC173859
0.8558 High Similarity NPC138057
0.8558 High Similarity NPC242748
0.8532 High Similarity NPC469823
0.8532 High Similarity NPC469820
0.8529 High Similarity NPC263756
0.8529 High Similarity NPC117714
0.8519 High Similarity NPC307642
0.8519 High Similarity NPC146563
0.8505 High Similarity NPC477028
0.8505 High Similarity NPC294129
0.8505 High Similarity NPC124677
0.8505 High Similarity NPC476547
0.8505 High Similarity NPC197231
0.8505 High Similarity NPC477032
0.8505 High Similarity NPC274833
0.8505 High Similarity NPC475247
0.85 High Similarity NPC139271
0.85 High Similarity NPC304011
0.8491 Intermediate Similarity NPC208383
0.8491 Intermediate Similarity NPC309278
0.8491 Intermediate Similarity NPC232054
0.8491 Intermediate Similarity NPC95051
0.8491 Intermediate Similarity NPC248746
0.8491 Intermediate Similarity NPC470433
0.8491 Intermediate Similarity NPC171073
0.8491 Intermediate Similarity NPC194207
0.8491 Intermediate Similarity NPC472901
0.8491 Intermediate Similarity NPC475333
0.8491 Intermediate Similarity NPC300557
0.8491 Intermediate Similarity NPC218571
0.8491 Intermediate Similarity NPC477809
0.8491 Intermediate Similarity NPC244086
0.8491 Intermediate Similarity NPC150372
0.8491 Intermediate Similarity NPC249265
0.8491 Intermediate Similarity NPC473844
0.8491 Intermediate Similarity NPC157530
0.8491 Intermediate Similarity NPC84956
0.8491 Intermediate Similarity NPC102016
0.8491 Intermediate Similarity NPC51947
0.8491 Intermediate Similarity NPC46190
0.8491 Intermediate Similarity NPC22779
0.8491 Intermediate Similarity NPC475550
0.8491 Intermediate Similarity NPC6806
0.8491 Intermediate Similarity NPC73243
0.8491 Intermediate Similarity NPC250089
0.8491 Intermediate Similarity NPC14630
0.8491 Intermediate Similarity NPC224098
0.8476 Intermediate Similarity NPC78034
0.8476 Intermediate Similarity NPC281939
0.8476 Intermediate Similarity NPC287269
0.8469 Intermediate Similarity NPC307167
0.8469 Intermediate Similarity NPC210759
0.8469 Intermediate Similarity NPC229801
0.8469 Intermediate Similarity NPC48463
0.8462 Intermediate Similarity NPC471435
0.8462 Intermediate Similarity NPC75608
0.8462 Intermediate Similarity NPC230948
0.8462 Intermediate Similarity NPC471434
0.8462 Intermediate Similarity NPC473734
0.8447 Intermediate Similarity NPC272015
0.844 Intermediate Similarity NPC54395
0.844 Intermediate Similarity NPC167183
0.844 Intermediate Similarity NPC11548
0.844 Intermediate Similarity NPC32707
0.8438 Intermediate Similarity NPC43912
0.8438 Intermediate Similarity NPC140446
0.8431 Intermediate Similarity NPC282669
0.8431 Intermediate Similarity NPC471247
0.8426 Intermediate Similarity NPC475312
0.8426 Intermediate Similarity NPC244431
0.8426 Intermediate Similarity NPC42171
0.8426 Intermediate Similarity NPC207845
0.8426 Intermediate Similarity NPC476305

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC476361 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
0.8519 High Similarity NPD8133 Approved
0.823 Intermediate Similarity NPD8377 Approved
0.823 Intermediate Similarity NPD8294 Approved
0.82 Intermediate Similarity NPD8171 Discontinued
0.8158 Intermediate Similarity NPD8296 Approved
0.8158 Intermediate Similarity NPD8380 Approved
0.8158 Intermediate Similarity NPD8378 Approved
0.8158 Intermediate Similarity NPD8335 Approved
0.8158 Intermediate Similarity NPD8379 Approved
0.8 Intermediate Similarity NPD8033 Approved
0.7739 Intermediate Similarity NPD7328 Approved
0.7739 Intermediate Similarity NPD7327 Approved
0.7672 Intermediate Similarity NPD7516 Approved
0.7455 Intermediate Similarity NPD8170 Clinical (unspecified phase)
0.7395 Intermediate Similarity NPD7503 Approved
0.7295 Intermediate Similarity NPD7507 Approved
0.7193 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.7168 Intermediate Similarity NPD6412 Phase 2
0.7131 Intermediate Similarity NPD8328 Phase 3
0.712 Intermediate Similarity NPD7319 Approved
0.7059 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.7031 Intermediate Similarity NPD8450 Suspended
0.7 Intermediate Similarity NPD7525 Registered
0.7 Intermediate Similarity NPD6928 Phase 2
0.6953 Remote Similarity NPD8449 Approved
0.681 Remote Similarity NPD6686 Approved
0.6772 Remote Similarity NPD7736 Approved
0.6759 Remote Similarity NPD8035 Phase 2
0.6759 Remote Similarity NPD8034 Phase 2
0.6735 Remote Similarity NPD1811 Approved
0.6735 Remote Similarity NPD1810 Approved
0.6698 Remote Similarity NPD7524 Approved
0.6694 Remote Similarity NPD8515 Approved
0.6694 Remote Similarity NPD8516 Approved
0.6694 Remote Similarity NPD8517 Approved
0.6667 Remote Similarity NPD4267 Clinical (unspecified phase)
0.664 Remote Similarity NPD6370 Approved
0.6571 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6569 Remote Similarity NPD7645 Phase 2
0.6562 Remote Similarity NPD8293 Discontinued
0.656 Remote Similarity NPD8513 Phase 3
0.6549 Remote Similarity NPD7638 Approved
0.6509 Remote Similarity NPD7520 Clinical (unspecified phase)
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
0.6429 Remote Similarity NPD2254 Approved
0.6429 Remote Similarity NPD7625 Phase 1
0.6429 Remote Similarity NPD2686 Approved
0.6429 Remote Similarity NPD2687 Approved
0.6389 Remote Similarity NPD7750 Discontinued
0.6364 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6321 Remote Similarity NPD3670 Clinical (unspecified phase)
0.6321 Remote Similarity NPD3669 Approved
0.6311 Remote Similarity NPD6882 Approved
0.6311 Remote Similarity NPD8297 Approved
0.6299 Remote Similarity NPD6015 Approved
0.6299 Remote Similarity NPD6016 Approved
0.6283 Remote Similarity NPD7991 Discontinued
0.6279 Remote Similarity NPD7492 Approved
0.625 Remote Similarity NPD5988 Approved
0.625 Remote Similarity NPD5345 Clinical (unspecified phase)
0.624 Remote Similarity NPD6009 Approved
0.6231 Remote Similarity NPD6616 Approved
0.622 Remote Similarity NPD6319 Approved
0.6202 Remote Similarity NPD6067 Discontinued
0.619 Remote Similarity NPD6930 Phase 2
0.619 Remote Similarity NPD6931 Approved
0.6183 Remote Similarity NPD7078 Approved
0.6176 Remote Similarity NPD7339 Approved
0.6176 Remote Similarity NPD6942 Approved
0.616 Remote Similarity NPD6940 Discontinued
0.6129 Remote Similarity NPD4632 Approved
0.6117 Remote Similarity NPD6933 Approved
0.6116 Remote Similarity NPD8174 Phase 2
0.6111 Remote Similarity NPD7115 Discovery
0.6102 Remote Similarity NPD7632 Discontinued
0.6095 Remote Similarity NPD6929 Approved
0.6091 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6083 Remote Similarity NPD6402 Approved
0.6083 Remote Similarity NPD7128 Approved
0.6083 Remote Similarity NPD5739 Approved
0.6083 Remote Similarity NPD6675 Approved
0.6066 Remote Similarity NPD6372 Approved
0.6066 Remote Similarity NPD6373 Approved
0.6066 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6053 Remote Similarity NPD7748 Approved
0.6034 Remote Similarity NPD7902 Approved
0.6018 Remote Similarity NPD7087 Discontinued
0.6015 Remote Similarity NPD6033 Approved
0.6 Remote Similarity NPD6697 Approved
0.6 Remote Similarity NPD6115 Approved
0.6 Remote Similarity NPD6114 Approved
0.6 Remote Similarity NPD6118 Approved
0.5984 Remote Similarity NPD6881 Approved
0.5984 Remote Similarity NPD6899 Approved
0.5984 Remote Similarity NPD7320 Approved
0.5968 Remote Similarity NPD6650 Approved
0.5968 Remote Similarity NPD6649 Approved
0.5968 Remote Similarity NPD8130 Phase 1
0.5965 Remote Similarity NPD6399 Phase 3
0.5962 Remote Similarity NPD3701 Clinical (unspecified phase)
0.5941 Remote Similarity NPD7532 Clinical (unspecified phase)
0.5922 Remote Similarity NPD6924 Approved
0.5922 Remote Similarity NPD6926 Approved
0.5909 Remote Similarity NPD6893 Approved
0.5905 Remote Similarity NPD6116 Phase 1
0.5905 Remote Similarity NPD5776 Phase 2
0.5905 Remote Similarity NPD6925 Approved
0.5905 Remote Similarity NPD6932 Approved
0.5902 Remote Similarity NPD5697 Approved
0.5902 Remote Similarity NPD5701 Approved
0.5897 Remote Similarity NPD4755 Approved
0.5888 Remote Similarity NPD7514 Phase 3
0.5887 Remote Similarity NPD7102 Approved
0.5887 Remote Similarity NPD5955 Clinical (unspecified phase)
0.5887 Remote Similarity NPD7290 Approved
0.5887 Remote Similarity NPD4634 Approved
0.5887 Remote Similarity NPD6883 Approved
0.5882 Remote Similarity NPD4159 Approved
0.5877 Remote Similarity NPD7515 Phase 2
0.5872 Remote Similarity NPD4788 Approved
0.5849 Remote Similarity NPD7145 Approved
0.5847 Remote Similarity NPD4225 Approved
0.5841 Remote Similarity NPD5328 Approved
0.584 Remote Similarity NPD6847 Approved
0.584 Remote Similarity NPD6617 Approved
0.584 Remote Similarity NPD6869 Approved
0.5833 Remote Similarity NPD5211 Phase 2
0.5833 Remote Similarity NPD6123 Approved
0.5833 Remote Similarity NPD7604 Phase 2
0.5826 Remote Similarity NPD4202 Approved
0.5818 Remote Similarity NPD4786 Approved
0.5816 Remote Similarity NPD371 Approved
0.581 Remote Similarity NPD6117 Approved
0.5806 Remote Similarity NPD6013 Approved
0.5806 Remote Similarity NPD6014 Approved
0.5806 Remote Similarity NPD6012 Approved
0.5802 Remote Similarity NPD6921 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
0.5794 Remote Similarity NPD6683 Phase 2
0.5789 Remote Similarity NPD3168 Discontinued
0.5784 Remote Similarity NPD4787 Phase 1
0.5776 Remote Similarity NPD7901 Clinical (unspecified phase)
0.5776 Remote Similarity NPD7900 Approved
0.5763 Remote Similarity NPD6083 Phase 2
0.5763 Remote Similarity NPD6084 Phase 2
0.575 Remote Similarity NPD5344 Discontinued
0.5746 Remote Similarity NPD6336 Discontinued
0.5741 Remote Similarity NPD7332 Phase 2
0.5741 Remote Similarity NPD7509 Discontinued
0.5741 Remote Similarity NPD4748 Discontinued
0.5739 Remote Similarity NPD7637 Suspended
0.5739 Remote Similarity NPD6079 Approved
0.5738 Remote Similarity NPD5141 Approved
0.5728 Remote Similarity NPD4243 Approved
0.5726 Remote Similarity NPD6011 Approved
0.5714 Remote Similarity NPD6401 Clinical (unspecified phase)
0.5714 Remote Similarity NPD3618 Phase 1
0.5714 Remote Similarity NPD8029 Clinical (unspecified phase)
0.5704 Remote Similarity NPD8074 Phase 3
0.5702 Remote Similarity NPD4633 Approved
0.5702 Remote Similarity NPD5224 Approved
0.5702 Remote Similarity NPD6051 Approved
0.5702 Remote Similarity NPD5225 Approved
0.5702 Remote Similarity NPD5226 Approved
0.5691 Remote Similarity NPD4768 Approved
0.5691 Remote Similarity NPD6008 Approved
0.5691 Remote Similarity NPD4767 Approved
0.5688 Remote Similarity NPD1779 Approved
0.5688 Remote Similarity NPD1780 Approved
0.5688 Remote Similarity NPD6898 Phase 1
0.5688 Remote Similarity NPD6902 Approved
0.567 Remote Similarity NPD1145 Discontinued
0.5656 Remote Similarity NPD5175 Approved
0.5656 Remote Similarity NPD5174 Approved
0.5645 Remote Similarity NPD5954 Clinical (unspecified phase)
0.5636 Remote Similarity NPD3667 Approved
0.562 Remote Similarity NPD5223 Approved
0.5619 Remote Similarity NPD4785 Approved
0.5619 Remote Similarity NPD4784 Approved
0.5619 Remote Similarity NPD6113 Clinical (unspecified phase)
0.56 Remote Similarity NPD4729 Approved
0.56 Remote Similarity NPD4730 Approved

Structure

External Identifiers

PubChem CID   46224643
ChEMBL   CHEMBL583822
ZINC  

Physicochemical Properties

Molecular Weight:  1126.58
ALogP:  -5.7484
MLogP:  4.54
XLogP:  -0.471
# Rotatable Bonds:  40
Polar Surface Area:  406.75
# H-Bond Aceptor:  25
# H-Bond Donor:  16
# Rings:  8
# Heavy Atoms:  78

Download Data

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Biological Activities  
Similar NPs/Drugs