Natural Product: NPC271295

Natural Product ID:  NPC271295
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C32H44O14
Standard InCHIKey:  LUTPIRPNUNHFEV-MBMCFSISSA-N
Standard InCHI:  InChI=1S/C32H44O14/c1-14-21(41-15(2)33)12-32(39)28(46-20(7)38)26-30(10,22(42-16(3)34)11-23(43-17(4)35)31(26)13-40-31)27(45-19(6)37)25(44-18(5)36)24(14)29(32,8)9/h21-23,25-28,39H,11-13H2,1-10H3/t21-,22-,23-,25+,26-,27-,28-,30+,31+,32+/m0/s1
Canonical SMILES:  CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)C)[C@@H]3[C@@]4(CO4)[C@@H](OC(=O)C)C[C@@H]([C@]3([C@H]([C@@H](C(=C1C)C2(C)C)OC(=O)C)OC(=O)C)C)OC(=O)C
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
NPO11936 Ptilocaulis walpersi Species Axinellidae Eukaryota UNPD*
NPO22296 Rheum tataricum Species Polygonaceae Eukaryota UNPD*
NPO563 Leucopaxillus cerealis Species Tricholomataceae Eukaryota UNPD*
NPO15125.1 Taxus wallichiana var. chinensis Varieties Taxaceae Eukaryota UNPD*
NPO21703 Maianthemum atropurpureum Species Asparagaceae Eukaryota UNPD*
NPO10487 Rosa americana Species Rosaceae Eukaryota UNPD*
NPO10953 Papaver strigosum Species Papaveraceae Eukaryota UNPD*
NPO11132 Alangium longiflorum Species Cornaceae Eukaryota UNPD*
NPO11819 Trichophyton megnini Species Arthrodermataceae Eukaryota UNPD*
NPO3362 Dictyostelium mucoroides Species NA Eukaryota UNPD*
NPO27451 Ophiocordyceps sinensis Species Ophiocordycipitaceae Eukaryota UNPD*
NPO12615 Athrotaxis selaginoides Species Cupressaceae Eukaryota UNPD*
NPO10084 Equisetum hyemale Species Equisetaceae Eukaryota UNPD*
NPO12272 Calceolaria petiolaris Species Calceolariaceae Eukaryota UNPD*
NPO7785 Boletus fomentarius Species Boletaceae Eukaryota UNPD*
NPO15125.2 Taxus wallichiana var. wallichiana Varieties Taxaceae Eukaryota TCMID*
NPO5067 Taxus baccata Species Taxaceae Eukaryota TCMID*
NPO16087 Atractylodes lancea Species Asteraceae Eukaryota TCMID*
NPO27746 Taxus mairei Species Taxaceae Eukaryota TCMID*
NPO23720 Taxus wallichiana Species Taxaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT137 Cell Line L1210 Mus musculus IC50 > 10 ug/ml 10.1016/S0960-894X(97)00029-2
NPT168 Cell Line P388 Mus musculus IC50 = 10000000 nM 10.1016/S0960-894X(97)00439-3

  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 NPC271295 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
0.9785 High Similarity NPC79303
0.9462 High Similarity NPC129569
0.9368 High Similarity NPC188968
0.9247 High Similarity NPC105375
0.9247 High Similarity NPC182826
0.8854 High Similarity NPC221801
0.8854 High Similarity NPC211810
0.8854 High Similarity NPC284194
0.8854 High Similarity NPC471765
0.8725 High Similarity NPC472439
0.8725 High Similarity NPC469916
0.8687 High Similarity NPC472554
0.8646 High Similarity NPC472360
0.8646 High Similarity NPC472416
0.8641 High Similarity NPC475586
0.8602 High Similarity NPC471779
0.86 High Similarity NPC472552
0.8571 High Similarity NPC473244
0.8447 Intermediate Similarity NPC472390
0.8421 Intermediate Similarity NPC261320
0.84 Intermediate Similarity NPC274643
0.8333 Intermediate Similarity NPC474124
0.8333 Intermediate Similarity NPC220216
0.8298 Intermediate Similarity NPC102996
0.8283 Intermediate Similarity NPC475304
0.8252 Intermediate Similarity NPC473543
0.8247 Intermediate Similarity NPC124374
0.8235 Intermediate Similarity NPC475344
0.8235 Intermediate Similarity NPC11956
0.8235 Intermediate Similarity NPC165578
0.8235 Intermediate Similarity NPC476471
0.8211 Intermediate Similarity NPC102640
0.82 Intermediate Similarity NPC199099
0.82 Intermediate Similarity NPC254121
0.819 Intermediate Similarity NPC50124
0.819 Intermediate Similarity NPC181994
0.8182 Intermediate Similarity NPC37603
0.8182 Intermediate Similarity NPC471786
0.8173 Intermediate Similarity NPC111952
0.8163 Intermediate Similarity NPC99653
0.8155 Intermediate Similarity NPC474822
0.8155 Intermediate Similarity NPC23584
0.8155 Intermediate Similarity NPC473523
0.8137 Intermediate Similarity NPC475617
0.8125 Intermediate Similarity NPC69713
0.8113 Intermediate Similarity NPC299590
0.81 Intermediate Similarity NPC472996
0.81 Intermediate Similarity NPC472997
0.8095 Intermediate Similarity NPC122816
0.8095 Intermediate Similarity NPC112780
0.8095 Intermediate Similarity NPC143609
0.8095 Intermediate Similarity NPC473586
0.8041 Intermediate Similarity NPC246028
0.8039 Intermediate Similarity NPC38855
0.8039 Intermediate Similarity NPC473510
0.8039 Intermediate Similarity NPC475877
0.8039 Intermediate Similarity NPC230546
0.8037 Intermediate Similarity NPC469917
0.8037 Intermediate Similarity NPC472417
0.8037 Intermediate Similarity NPC472215
0.8037 Intermediate Similarity NPC472214
0.8019 Intermediate Similarity NPC475263
0.8 Intermediate Similarity NPC469583
0.8 Intermediate Similarity NPC292178
0.8 Intermediate Similarity NPC86893
0.8 Intermediate Similarity NPC51719
0.8 Intermediate Similarity NPC471206
0.798 Intermediate Similarity NPC119379
0.798 Intermediate Similarity NPC110022
0.7961 Intermediate Similarity NPC235920
0.7961 Intermediate Similarity NPC11974
0.7961 Intermediate Similarity NPC96784
0.7959 Intermediate Similarity NPC48732
0.7944 Intermediate Similarity NPC40728
0.7941 Intermediate Similarity NPC477876
0.7941 Intermediate Similarity NPC477875
0.7925 Intermediate Similarity NPC471205
0.7921 Intermediate Similarity NPC57664
0.7921 Intermediate Similarity NPC472995
0.7909 Intermediate Similarity NPC73314
0.79 Intermediate Similarity NPC140277
0.789 Intermediate Similarity NPC42658
0.7885 Intermediate Similarity NPC109195
0.7885 Intermediate Similarity NPC475038
0.7885 Intermediate Similarity NPC470972
0.7879 Intermediate Similarity NPC114389
0.787 Intermediate Similarity NPC177047
0.7864 Intermediate Similarity NPC272223
0.7857 Intermediate Similarity NPC20946
0.785 Intermediate Similarity NPC128795
0.785 Intermediate Similarity NPC94377
0.785 Intermediate Similarity NPC217921
0.785 Intermediate Similarity NPC151393
0.785 Intermediate Similarity NPC135015
0.785 Intermediate Similarity NPC48548
0.7843 Intermediate Similarity NPC311241
0.7843 Intermediate Similarity NPC210337
0.7843 Intermediate Similarity NPC100912
0.7843 Intermediate Similarity NPC475446
0.7843 Intermediate Similarity NPC472998
0.7835 Intermediate Similarity NPC131329
0.783 Intermediate Similarity NPC88349
0.7822 Intermediate Similarity NPC276110
0.781 Intermediate Similarity NPC99266
0.781 Intermediate Similarity NPC8196
0.781 Intermediate Similarity NPC165608
0.78 Intermediate Similarity NPC7349
0.78 Intermediate Similarity NPC137461
0.7788 Intermediate Similarity NPC280991
0.7788 Intermediate Similarity NPC476132
0.7788 Intermediate Similarity NPC470186
0.7778 Intermediate Similarity NPC316974
0.7778 Intermediate Similarity NPC173905
0.7778 Intermediate Similarity NPC284828
0.7778 Intermediate Similarity NPC472216
0.7778 Intermediate Similarity NPC5475
0.7767 Intermediate Similarity NPC312325
0.7767 Intermediate Similarity NPC72647
0.7767 Intermediate Similarity NPC107806
0.7767 Intermediate Similarity NPC247233
0.7757 Intermediate Similarity NPC125423
0.7757 Intermediate Similarity NPC88013
0.7745 Intermediate Similarity NPC194132
0.7745 Intermediate Similarity NPC88009
0.7745 Intermediate Similarity NPC475380
0.7745 Intermediate Similarity NPC72204
0.7745 Intermediate Similarity NPC209297
0.7736 Intermediate Similarity NPC194941
0.7736 Intermediate Similarity NPC470768
0.7736 Intermediate Similarity NPC473577
0.7736 Intermediate Similarity NPC474550
0.7736 Intermediate Similarity NPC65523
0.7736 Intermediate Similarity NPC475585
0.7732 Intermediate Similarity NPC255143
0.7727 Intermediate Similarity NPC328074
0.7727 Intermediate Similarity NPC321272
0.7727 Intermediate Similarity NPC470025
0.7727 Intermediate Similarity NPC317460
0.7723 Intermediate Similarity NPC105490
0.7714 Intermediate Similarity NPC137430
0.7714 Intermediate Similarity NPC295791
0.7706 Intermediate Similarity NPC316708
0.77 Intermediate Similarity NPC477574
0.77 Intermediate Similarity NPC91251
0.77 Intermediate Similarity NPC41239
0.7692 Intermediate Similarity NPC474571
0.7692 Intermediate Similarity NPC16601
0.7692 Intermediate Similarity NPC254567
0.7692 Intermediate Similarity NPC474190
0.7692 Intermediate Similarity NPC476195
0.7685 Intermediate Similarity NPC311223
0.7685 Intermediate Similarity NPC38948
0.767 Intermediate Similarity NPC274793
0.767 Intermediate Similarity NPC205143
0.7664 Intermediate Similarity NPC470767
0.7664 Intermediate Similarity NPC477090
0.7664 Intermediate Similarity NPC470763
0.7664 Intermediate Similarity NPC475290
0.7664 Intermediate Similarity NPC470980
0.7664 Intermediate Similarity NPC477877
0.7658 Intermediate Similarity NPC470027
0.7658 Intermediate Similarity NPC311592
0.7658 Intermediate Similarity NPC75167
0.7658 Intermediate Similarity NPC477126
0.7658 Intermediate Similarity NPC471204
0.7653 Intermediate Similarity NPC233744
0.7653 Intermediate Similarity NPC245004
0.7647 Intermediate Similarity NPC471915
0.7647 Intermediate Similarity NPC111273
0.7642 Intermediate Similarity NPC159533
0.7642 Intermediate Similarity NPC218513
0.7642 Intermediate Similarity NPC281378
0.7642 Intermediate Similarity NPC474575
0.7642 Intermediate Similarity NPC61442
0.7642 Intermediate Similarity NPC55954
0.7636 Intermediate Similarity NPC470026
0.7636 Intermediate Similarity NPC469655
0.7636 Intermediate Similarity NPC17791
0.7636 Intermediate Similarity NPC469656
0.7636 Intermediate Similarity NPC474846
0.7629 Intermediate Similarity NPC35933
0.7619 Intermediate Similarity NPC97435
0.7619 Intermediate Similarity NPC49532
0.7615 Intermediate Similarity NPC206618
0.7611 Intermediate Similarity NPC473590
0.7611 Intermediate Similarity NPC296822
0.7604 Intermediate Similarity NPC49208
0.7596 Intermediate Similarity NPC222303
0.7596 Intermediate Similarity NPC102426
0.7596 Intermediate Similarity NPC470068
0.7596 Intermediate Similarity NPC470067
0.7596 Intermediate Similarity NPC470066
0.7596 Intermediate Similarity NPC300179
0.7593 Intermediate Similarity NPC469318
0.7593 Intermediate Similarity NPC187435
0.7593 Intermediate Similarity NPC473173
0.7593 Intermediate Similarity NPC67321
0.7593 Intermediate Similarity NPC475781
0.7589 Intermediate Similarity NPC43213
0.7589 Intermediate Similarity NPC181145

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC271295 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
0.8113 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.8037 Intermediate Similarity NPD5955 Clinical (unspecified phase)
0.7961 Intermediate Similarity NPD5344 Discontinued
0.7757 Intermediate Similarity NPD5954 Clinical (unspecified phase)
0.7692 Intermediate Similarity NPD6648 Approved
0.7328 Intermediate Similarity NPD7516 Approved
0.7241 Intermediate Similarity NPD7328 Approved
0.7241 Intermediate Similarity NPD7327 Approved
0.7143 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.7087 Intermediate Similarity NPD7838 Discovery
0.7059 Intermediate Similarity NPD8380 Approved
0.7059 Intermediate Similarity NPD8033 Approved
0.7059 Intermediate Similarity NPD8296 Approved
0.7059 Intermediate Similarity NPD8335 Approved
0.7059 Intermediate Similarity NPD8379 Approved
0.7059 Intermediate Similarity NPD8378 Approved
0.7054 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.6975 Remote Similarity NPD8377 Approved
0.6975 Remote Similarity NPD8294 Approved
0.6972 Remote Similarity NPD4159 Approved
0.6944 Remote Similarity NPD4225 Approved
0.6944 Remote Similarity NPD7638 Approved
0.6923 Remote Similarity NPD46 Approved
0.6923 Remote Similarity NPD6698 Approved
0.6881 Remote Similarity NPD7640 Approved
0.6881 Remote Similarity NPD7639 Approved
0.6864 Remote Similarity NPD7115 Discovery
0.6777 Remote Similarity NPD7503 Approved
0.6762 Remote Similarity NPD3168 Discontinued
0.6757 Remote Similarity NPD7632 Discontinued
0.6754 Remote Similarity NPD6686 Approved
0.6723 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6635 Remote Similarity NPD7524 Approved
0.661 Remote Similarity NPD8133 Approved
0.656 Remote Similarity NPD7507 Approved
0.6535 Remote Similarity NPD7319 Approved
0.6504 Remote Similarity NPD6921 Approved
0.646 Remote Similarity NPD3653 Clinical (unspecified phase)
0.6422 Remote Similarity NPD7748 Approved
0.6396 Remote Similarity NPD7902 Approved
0.6387 Remote Similarity NPD8297 Approved
0.6371 Remote Similarity NPD8517 Approved
0.6371 Remote Similarity NPD8516 Approved
0.6371 Remote Similarity NPD8515 Approved
0.6371 Remote Similarity NPD8513 Phase 3
0.6355 Remote Similarity NPD6051 Approved
0.6354 Remote Similarity NPD7532 Clinical (unspecified phase)
0.6346 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6339 Remote Similarity NPD8029 Clinical (unspecified phase)
0.633 Remote Similarity NPD6399 Phase 3
0.6293 Remote Similarity NPD6008 Approved
0.6293 Remote Similarity NPD5357 Phase 1
0.629 Remote Similarity NPD6319 Approved
0.627 Remote Similarity NPD8328 Phase 3
0.625 Remote Similarity NPD6695 Phase 3
0.6239 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6239 Remote Similarity NPD7983 Approved
0.6239 Remote Similarity NPD7637 Suspended
0.6218 Remote Similarity NPD6371 Approved
0.6198 Remote Similarity NPD4632 Approved
0.6182 Remote Similarity NPD5779 Approved
0.6182 Remote Similarity NPD5778 Approved
0.6176 Remote Similarity NPD7645 Phase 2
0.6168 Remote Similarity NPD7750 Discontinued
0.6167 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6154 Remote Similarity NPD6402 Approved
0.6154 Remote Similarity NPD5739 Approved
0.6154 Remote Similarity NPD7128 Approved
0.6154 Remote Similarity NPD6675 Approved
0.6134 Remote Similarity NPD6372 Approved
0.6134 Remote Similarity NPD6373 Approved
0.6126 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6126 Remote Similarity NPD7900 Approved
0.6124 Remote Similarity NPD8074 Phase 3
0.6117 Remote Similarity NPD7525 Registered
0.6116 Remote Similarity NPD6053 Discontinued
0.6102 Remote Similarity NPD6412 Phase 2
0.6091 Remote Similarity NPD8034 Phase 2
0.6091 Remote Similarity NPD7515 Phase 2
0.6091 Remote Similarity NPD8035 Phase 2
0.6064 Remote Similarity NPD371 Approved
0.605 Remote Similarity NPD7320 Approved
0.605 Remote Similarity NPD6881 Approved
0.605 Remote Similarity NPD6899 Approved
0.6038 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6033 Remote Similarity NPD8130 Phase 1
0.6033 Remote Similarity NPD6650 Approved
0.6033 Remote Similarity NPD6649 Approved
0.6016 Remote Similarity NPD7604 Phase 2
0.6 Remote Similarity NPD8293 Discontinued
0.5984 Remote Similarity NPD6882 Approved
0.5981 Remote Similarity NPD1694 Approved
0.5969 Remote Similarity NPD7492 Approved
0.5966 Remote Similarity NPD5701 Approved
0.5966 Remote Similarity NPD5697 Approved
0.5962 Remote Similarity NPD6931 Approved
0.5962 Remote Similarity NPD6930 Phase 2
0.5954 Remote Similarity NPD7736 Approved
0.595 Remote Similarity NPD6883 Approved
0.595 Remote Similarity NPD7102 Approved
0.595 Remote Similarity NPD7290 Approved
0.5948 Remote Similarity NPD1700 Approved
0.5946 Remote Similarity NPD6411 Approved
0.5941 Remote Similarity NPD8264 Approved
0.5923 Remote Similarity NPD6616 Approved
0.592 Remote Similarity NPD6009 Approved
0.5906 Remote Similarity NPD6054 Approved
0.5906 Remote Similarity NPD6059 Approved
0.5902 Remote Similarity NPD6617 Approved
0.5902 Remote Similarity NPD6847 Approved
0.5902 Remote Similarity NPD6869 Approved
0.5878 Remote Similarity NPD7078 Approved
0.5872 Remote Similarity NPD4751 Clinical (unspecified phase)
0.5868 Remote Similarity NPD6012 Approved
0.5868 Remote Similarity NPD6014 Approved
0.5868 Remote Similarity NPD6013 Approved
0.5865 Remote Similarity NPD6929 Approved
0.5859 Remote Similarity NPD5983 Phase 2
0.5849 Remote Similarity NPD4752 Clinical (unspecified phase)
0.5826 Remote Similarity NPD6084 Phase 2
0.5826 Remote Similarity NPD6083 Phase 2
0.5821 Remote Similarity NPD7260 Phase 2
0.5814 Remote Similarity NPD6370 Approved
0.581 Remote Similarity NPD7514 Phase 3
0.581 Remote Similarity NPD7332 Phase 2
0.581 Remote Similarity NPD4748 Discontinued
0.5804 Remote Similarity NPD7087 Discontinued
0.5802 Remote Similarity NPD6336 Discontinued
0.5794 Remote Similarity NPD3670 Clinical (unspecified phase)
0.5794 Remote Similarity NPD3669 Approved
0.5789 Remote Similarity NPD5695 Phase 3
0.5785 Remote Similarity NPD6011 Approved
0.5784 Remote Similarity NPD7339 Approved
0.5784 Remote Similarity NPD6942 Approved
0.5778 Remote Similarity NPD6845 Suspended
0.5772 Remote Similarity NPD6401 Clinical (unspecified phase)
0.5766 Remote Similarity NPD5764 Clinical (unspecified phase)
0.5766 Remote Similarity NPD6101 Approved
0.5755 Remote Similarity NPD6902 Approved
0.575 Remote Similarity NPD6640 Phase 3
0.5741 Remote Similarity NPD4786 Approved
0.5736 Remote Similarity NPD6015 Approved
0.5736 Remote Similarity NPD6016 Approved
0.5728 Remote Similarity NPD6933 Approved
0.5728 Remote Similarity NPD3701 Clinical (unspecified phase)
0.5701 Remote Similarity NPD3667 Approved
0.5694 Remote Similarity NPD7625 Phase 1
0.5692 Remote Similarity NPD5988 Approved
0.5691 Remote Similarity NPD4634 Approved
0.569 Remote Similarity NPD4755 Approved
0.5688 Remote Similarity NPD1733 Clinical (unspecified phase)
0.5688 Remote Similarity NPD6893 Approved
0.5688 Remote Similarity NPD7520 Clinical (unspecified phase)
0.5682 Remote Similarity NPD8273 Phase 1
0.5673 Remote Similarity NPD5776 Phase 2
0.5673 Remote Similarity NPD6932 Approved
0.5673 Remote Similarity NPD6925 Approved
0.567 Remote Similarity NPD2685 Clinical (unspecified phase)
0.5652 Remote Similarity NPD6356 Clinical (unspecified phase)
0.5641 Remote Similarity NPD5696 Approved
0.5636 Remote Similarity NPD3618 Phase 1
0.5636 Remote Similarity NPD7334 Approved
0.5636 Remote Similarity NPD7521 Approved
0.5636 Remote Similarity NPD7146 Approved
0.5636 Remote Similarity NPD5330 Approved
0.5636 Remote Similarity NPD6409 Approved
0.5636 Remote Similarity NPD6684 Approved
0.5631 Remote Similarity NPD8039 Approved
0.563 Remote Similarity NPD5211 Phase 2
0.5625 Remote Similarity NPD5328 Approved
0.5625 Remote Similarity NPD1695 Approved
0.5625 Remote Similarity NPD8470 Clinical (unspecified phase)
0.5619 Remote Similarity NPD6115 Approved
0.5619 Remote Similarity NPD6118 Approved
0.5619 Remote Similarity NPD6114 Approved
0.5619 Remote Similarity NPD6697 Approved
0.5619 Remote Similarity NPD7145 Approved
0.5614 Remote Similarity NPD8171 Discontinued
0.5614 Remote Similarity NPD4202 Approved
0.5607 Remote Similarity NPD6898 Phase 1
0.5603 Remote Similarity NPD4792 Clinical (unspecified phase)
0.56 Remote Similarity NPD4267 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   14466616
ChEMBL   CHEMBL420772
ZINC  

Physicochemical Properties

Molecular Weight:  652.27
ALogP:  -0.1239
MLogP:  3.44
XLogP:  1.274
# Rotatable Bonds:  23
Polar Surface Area:  190.56
# H-Bond Aceptor:  14
# H-Bond Donor:  1
# Rings:  4
# Heavy Atoms:  46

Download Data

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