Natural Product: NPC475877

Natural Product ID:  NPC475877
Common Name:   Taxumairol Q
IUPAC Name:  
Synonyms:   taxumairol Q
Molecular Formula:   C24H36O10
Standard InCHIKey:  TVMSZRKICIOFTN-GXIFNHHXSA-N
Standard InCHI:  InChI=1S/C24H36O10/c1-10-13(27)8-23(21(4,5)31)16(10)17(29)19(30)22(6)14(28)7-15-24(9-32-15,34-12(3)26)18(22)20(23)33-11(2)25/h13-15,17-20,27-31H,7-9H2,1-6H3/t13-,14-,15+,17+,18?,19-,20-,22+,23-,24-/m0/s1
Canonical SMILES:  CC(=O)O[C@H]1C2[C@@]3(CO[C@@H]3C[C@@H]([C@@]2(C)[C@H]([C@@H](C2=C([C@H](C[C@@]12C(O)(C)C)O)C)O)O)O)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
NPO11554 Taxus sumatrana Species Taxaceae Eukaryota leaves and twigs PMID[12502326]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 14.52 ug/ml 24484240
NPT91 Cell Line KB Homo sapiens IC50 = 16.25 ug/ml 24484240

  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 NPC475877 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
0.9787 High Similarity NPC165578
0.9565 High Similarity NPC292178
0.9565 High Similarity NPC86893
0.9368 High Similarity NPC274643
0.9362 High Similarity NPC254121
0.9053 High Similarity NPC475304
0.8438 Intermediate Similarity NPC249034
0.84 Intermediate Similarity NPC188968
0.8333 Intermediate Similarity NPC209816
0.8218 Intermediate Similarity NPC79303
0.8155 Intermediate Similarity NPC475334
0.8155 Intermediate Similarity NPC475623
0.8155 Intermediate Similarity NPC473694
0.81 Intermediate Similarity NPC129569
0.8085 Intermediate Similarity NPC222634
0.8077 Intermediate Similarity NPC475335
0.8077 Intermediate Similarity NPC181104
0.8077 Intermediate Similarity NPC475331
0.8077 Intermediate Similarity NPC121518
0.8077 Intermediate Similarity NPC80809
0.8077 Intermediate Similarity NPC201144
0.8077 Intermediate Similarity NPC103298
0.8077 Intermediate Similarity NPC288502
0.8039 Intermediate Similarity NPC271295
0.802 Intermediate Similarity NPC473244
0.802 Intermediate Similarity NPC120446
0.8 Intermediate Similarity NPC60315
0.7961 Intermediate Similarity NPC472554
0.7944 Intermediate Similarity NPC273433
0.7944 Intermediate Similarity NPC475586
0.7941 Intermediate Similarity NPC470066
0.7941 Intermediate Similarity NPC470067
0.7921 Intermediate Similarity NPC211810
0.7921 Intermediate Similarity NPC471765
0.7921 Intermediate Similarity NPC221801
0.7921 Intermediate Similarity NPC284194
0.7905 Intermediate Similarity NPC473577
0.7905 Intermediate Similarity NPC474550
0.7905 Intermediate Similarity NPC475585
0.7905 Intermediate Similarity NPC473543
0.79 Intermediate Similarity NPC105375
0.79 Intermediate Similarity NPC182826
0.7885 Intermediate Similarity NPC472552
0.7885 Intermediate Similarity NPC470972
0.7879 Intermediate Similarity NPC114389
0.7864 Intermediate Similarity NPC38855
0.7864 Intermediate Similarity NPC272223
0.783 Intermediate Similarity NPC475290
0.781 Intermediate Similarity NPC474822
0.781 Intermediate Similarity NPC474124
0.781 Intermediate Similarity NPC473523
0.78 Intermediate Similarity NPC110022
0.7788 Intermediate Similarity NPC475617
0.7778 Intermediate Similarity NPC471378
0.7778 Intermediate Similarity NPC312471
0.7767 Intermediate Similarity NPC470068
0.7757 Intermediate Similarity NPC122816
0.7757 Intermediate Similarity NPC471205
0.7757 Intermediate Similarity NPC473173
0.7757 Intermediate Similarity NPC469318
0.7755 Intermediate Similarity NPC470260
0.7755 Intermediate Similarity NPC75443
0.7748 Intermediate Similarity NPC472400
0.7745 Intermediate Similarity NPC472995
0.7745 Intermediate Similarity NPC306797
0.7745 Intermediate Similarity NPC111834
0.7745 Intermediate Similarity NPC169270
0.7745 Intermediate Similarity NPC292718
0.7723 Intermediate Similarity NPC472416
0.7723 Intermediate Similarity NPC473258
0.7723 Intermediate Similarity NPC472360
0.7714 Intermediate Similarity NPC470053
0.7714 Intermediate Similarity NPC476471
0.7714 Intermediate Similarity NPC475344
0.7714 Intermediate Similarity NPC474709
0.77 Intermediate Similarity NPC91251
0.7685 Intermediate Similarity NPC181994
0.7685 Intermediate Similarity NPC50124
0.7677 Intermediate Similarity NPC115607
0.767 Intermediate Similarity NPC475033
0.767 Intermediate Similarity NPC199099
0.767 Intermediate Similarity NPC475032
0.7664 Intermediate Similarity NPC470980
0.7658 Intermediate Similarity NPC472757
0.7653 Intermediate Similarity NPC44538
0.7647 Intermediate Similarity NPC476720
0.7647 Intermediate Similarity NPC241047
0.7629 Intermediate Similarity NPC471379
0.7629 Intermediate Similarity NPC196911
0.7624 Intermediate Similarity NPC137461
0.7619 Intermediate Similarity NPC470054
0.7619 Intermediate Similarity NPC235920
0.7619 Intermediate Similarity NPC96784
0.7619 Intermediate Similarity NPC11974
0.7619 Intermediate Similarity NPC49532
0.7589 Intermediate Similarity NPC216665
0.7576 Intermediate Similarity NPC476723
0.7576 Intermediate Similarity NPC476724
0.7573 Intermediate Similarity NPC210717
0.7573 Intermediate Similarity NPC471903
0.7573 Intermediate Similarity NPC103165
0.757 Intermediate Similarity NPC152966
0.7551 Intermediate Similarity NPC475684
0.7551 Intermediate Similarity NPC476217
0.7549 Intermediate Similarity NPC39453
0.7547 Intermediate Similarity NPC469316
0.7547 Intermediate Similarity NPC214277
0.7547 Intermediate Similarity NPC11956
0.7545 Intermediate Similarity NPC177047
0.7544 Intermediate Similarity NPC471125
0.7544 Intermediate Similarity NPC472758
0.7544 Intermediate Similarity NPC171905
0.7544 Intermediate Similarity NPC472397
0.7526 Intermediate Similarity NPC102048
0.7525 Intermediate Similarity NPC219516
0.7525 Intermediate Similarity NPC122057
0.7524 Intermediate Similarity NPC230546
0.7524 Intermediate Similarity NPC473510
0.7524 Intermediate Similarity NPC474718
0.7523 Intermediate Similarity NPC472217
0.7523 Intermediate Similarity NPC472219
0.7523 Intermediate Similarity NPC38948
0.7523 Intermediate Similarity NPC472218
0.7522 Intermediate Similarity NPC471127
0.7522 Intermediate Similarity NPC154363
0.7522 Intermediate Similarity NPC234858
0.75 Intermediate Similarity NPC291875
0.75 Intermediate Similarity NPC477446
0.75 Intermediate Similarity NPC97103
0.75 Intermediate Similarity NPC246028
0.75 Intermediate Similarity NPC274793
0.75 Intermediate Similarity NPC51719
0.75 Intermediate Similarity NPC470155
0.75 Intermediate Similarity NPC477447
0.75 Intermediate Similarity NPC210337
0.75 Intermediate Similarity NPC161560
0.7478 Intermediate Similarity NPC275696
0.7478 Intermediate Similarity NPC471108
0.7478 Intermediate Similarity NPC5989
0.7478 Intermediate Similarity NPC22628
0.7478 Intermediate Similarity NPC255081
0.7478 Intermediate Similarity NPC5991
0.7477 Intermediate Similarity NPC475480
0.7477 Intermediate Similarity NPC475668
0.7477 Intermediate Similarity NPC23584
0.7477 Intermediate Similarity NPC218513
0.7477 Intermediate Similarity NPC471467
0.7477 Intermediate Similarity NPC473921
0.7477 Intermediate Similarity NPC55954
0.7476 Intermediate Similarity NPC276110
0.7475 Intermediate Similarity NPC471779
0.7475 Intermediate Similarity NPC245004
0.7475 Intermediate Similarity NPC233744
0.7456 Intermediate Similarity NPC10721
0.7456 Intermediate Similarity NPC156252
0.7455 Intermediate Similarity NPC206618
0.7455 Intermediate Similarity NPC42662
0.7453 Intermediate Similarity NPC155974
0.7451 Intermediate Similarity NPC472641
0.7451 Intermediate Similarity NPC27918
0.7451 Intermediate Similarity NPC53555
0.7451 Intermediate Similarity NPC119379
0.7451 Intermediate Similarity NPC472640
0.7449 Intermediate Similarity NPC290731
0.7436 Intermediate Similarity NPC196130
0.7434 Intermediate Similarity NPC43213
0.7431 Intermediate Similarity NPC472390
0.7431 Intermediate Similarity NPC67321
0.7431 Intermediate Similarity NPC475781
0.7431 Intermediate Similarity NPC187435
0.7429 Intermediate Similarity NPC300179
0.7429 Intermediate Similarity NPC477876
0.7429 Intermediate Similarity NPC247233
0.7429 Intermediate Similarity NPC477875
0.7429 Intermediate Similarity NPC102426
0.7426 Intermediate Similarity NPC220216
0.7426 Intermediate Similarity NPC48732
0.7426 Intermediate Similarity NPC470832
0.7423 Intermediate Similarity NPC5958
0.7414 Intermediate Similarity NPC475003
0.7414 Intermediate Similarity NPC475885
0.7414 Intermediate Similarity NPC471128
0.7414 Intermediate Similarity NPC145182
0.7414 Intermediate Similarity NPC157252
0.7414 Intermediate Similarity NPC471126
0.7411 Intermediate Similarity NPC472002
0.7407 Intermediate Similarity NPC470064
0.7407 Intermediate Similarity NPC470062
0.7407 Intermediate Similarity NPC470060
0.7407 Intermediate Similarity NPC470058
0.7407 Intermediate Similarity NPC470768
0.7407 Intermediate Similarity NPC161775
0.7407 Intermediate Similarity NPC470043
0.7407 Intermediate Similarity NPC476593
0.7407 Intermediate Similarity NPC470057
0.7407 Intermediate Similarity NPC470061
0.7407 Intermediate Similarity NPC470059
0.7407 Intermediate Similarity NPC476595
0.7404 Intermediate Similarity NPC88009
0.74 Intermediate Similarity NPC92370

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC475877 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
0.7619 Intermediate Similarity NPD5344 Discontinued
0.7328 Intermediate Similarity NPD7516 Approved
0.7297 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7241 Intermediate Similarity NPD7328 Approved
0.7241 Intermediate Similarity NPD7327 Approved
0.7196 Intermediate Similarity NPD6648 Approved
0.7129 Intermediate Similarity NPD7524 Approved
0.708 Intermediate Similarity NPD5955 Clinical (unspecified phase)
0.6944 Remote Similarity NPD4225 Approved
0.6917 Remote Similarity NPD8335 Approved
0.6917 Remote Similarity NPD8378 Approved
0.6917 Remote Similarity NPD8033 Approved
0.6917 Remote Similarity NPD8379 Approved
0.6917 Remote Similarity NPD8380 Approved
0.6917 Remote Similarity NPD8296 Approved
0.6881 Remote Similarity NPD7640 Approved
0.6881 Remote Similarity NPD7639 Approved
0.6833 Remote Similarity NPD8294 Approved
0.6833 Remote Similarity NPD8377 Approved
0.6832 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6814 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6789 Remote Similarity NPD7638 Approved
0.6783 Remote Similarity NPD6371 Approved
0.6757 Remote Similarity NPD7632 Discontinued
0.6733 Remote Similarity NPD6695 Phase 3
0.6698 Remote Similarity NPD7637 Suspended
0.6696 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6639 Remote Similarity NPD7503 Approved
0.6609 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6609 Remote Similarity NPD6686 Approved
0.656 Remote Similarity NPD7507 Approved
0.6535 Remote Similarity NPD7319 Approved
0.6526 Remote Similarity NPD7532 Clinical (unspecified phase)
0.6518 Remote Similarity NPD4159 Approved
0.6476 Remote Similarity NPD7750 Discontinued
0.6449 Remote Similarity NPD6698 Approved
0.6449 Remote Similarity NPD46 Approved
0.6449 Remote Similarity NPD7838 Discovery
0.6449 Remote Similarity NPD3168 Discontinued
0.6446 Remote Similarity NPD7115 Discovery
0.6436 Remote Similarity NPD7332 Phase 2
0.6436 Remote Similarity NPD6930 Phase 2
0.6436 Remote Similarity NPD6931 Approved
0.6423 Remote Similarity NPD6319 Approved
0.6389 Remote Similarity NPD7983 Approved
0.6387 Remote Similarity NPD8297 Approved
0.6337 Remote Similarity NPD6929 Approved
0.6333 Remote Similarity NPD4632 Approved
0.6321 Remote Similarity NPD4251 Approved
0.6321 Remote Similarity NPD4250 Approved
0.6311 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6293 Remote Similarity NPD6675 Approved
0.6293 Remote Similarity NPD7128 Approved
0.6293 Remote Similarity NPD6402 Approved
0.6293 Remote Similarity NPD5739 Approved
0.6275 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6275 Remote Similarity NPD4819 Approved
0.6275 Remote Similarity NPD4821 Approved
0.6275 Remote Similarity NPD4822 Approved
0.6275 Remote Similarity NPD7525 Registered
0.6275 Remote Similarity NPD4820 Approved
0.6275 Remote Similarity NPD7514 Phase 3
0.6271 Remote Similarity NPD6373 Approved
0.6271 Remote Similarity NPD6372 Approved
0.6239 Remote Similarity NPD7087 Discontinued
0.6239 Remote Similarity NPD6412 Phase 2
0.6226 Remote Similarity NPD4249 Approved
0.6214 Remote Similarity NPD6898 Phase 1
0.6198 Remote Similarity NPD8133 Approved
0.6186 Remote Similarity NPD6899 Approved
0.6186 Remote Similarity NPD6881 Approved
0.6186 Remote Similarity NPD7320 Approved
0.6182 Remote Similarity NPD5778 Approved
0.6182 Remote Similarity NPD5779 Approved
0.6182 Remote Similarity NPD6399 Phase 3
0.6174 Remote Similarity NPD3653 Clinical (unspecified phase)
0.6168 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6167 Remote Similarity NPD6650 Approved
0.6167 Remote Similarity NPD6649 Approved
0.6139 Remote Similarity NPD6925 Approved
0.6139 Remote Similarity NPD5776 Phase 2
0.6132 Remote Similarity NPD6893 Approved
0.6116 Remote Similarity NPD6882 Approved
0.6116 Remote Similarity NPD6053 Discontinued
0.6111 Remote Similarity NPD6921 Approved
0.6102 Remote Similarity NPD5697 Approved
0.6102 Remote Similarity NPD5701 Approved
0.6095 Remote Similarity NPD5362 Discontinued
0.6095 Remote Similarity NPD7154 Phase 3
0.6094 Remote Similarity NPD7492 Approved
0.6083 Remote Similarity NPD7102 Approved
0.6083 Remote Similarity NPD6883 Approved
0.6083 Remote Similarity NPD7290 Approved
0.6078 Remote Similarity NPD7145 Approved
0.6078 Remote Similarity NPD4271 Approved
0.6078 Remote Similarity NPD4268 Approved
0.6058 Remote Similarity NPD6902 Approved
0.6055 Remote Similarity NPD6051 Approved
0.6053 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6048 Remote Similarity NPD6009 Approved
0.6047 Remote Similarity NPD6616 Approved
0.604 Remote Similarity NPD6933 Approved
0.6033 Remote Similarity NPD6847 Approved
0.6033 Remote Similarity NPD6617 Approved
0.6033 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6033 Remote Similarity NPD8130 Phase 1
0.6033 Remote Similarity NPD6869 Approved
0.6032 Remote Similarity NPD6059 Approved
0.6032 Remote Similarity NPD6054 Approved
0.6018 Remote Similarity NPD4792 Clinical (unspecified phase)
0.6017 Remote Similarity NPD6008 Approved
0.6017 Remote Similarity NPD6640 Phase 3
0.6017 Remote Similarity NPD5357 Phase 1
0.6016 Remote Similarity NPD7604 Phase 2
0.6 Remote Similarity NPD6014 Approved
0.6 Remote Similarity NPD8293 Discontinued
0.6 Remote Similarity NPD6013 Approved
0.6 Remote Similarity NPD6012 Approved
0.6 Remote Similarity NPD7078 Approved
0.5984 Remote Similarity NPD8517 Approved
0.5984 Remote Similarity NPD8515 Approved
0.5984 Remote Similarity NPD5983 Phase 2
0.5984 Remote Similarity NPD8516 Approved
0.5984 Remote Similarity NPD8513 Phase 3
0.598 Remote Similarity NPD6932 Approved
0.5965 Remote Similarity NPD6083 Phase 2
0.5965 Remote Similarity NPD6084 Phase 2
0.5962 Remote Similarity NPD7509 Discontinued
0.5962 Remote Similarity NPD4748 Discontinued
0.5954 Remote Similarity NPD7736 Approved
0.5948 Remote Similarity NPD1700 Approved
0.5946 Remote Similarity NPD8034 Phase 2
0.5946 Remote Similarity NPD8035 Phase 2
0.5938 Remote Similarity NPD6370 Approved
0.5923 Remote Similarity NPD6336 Discontinued
0.5922 Remote Similarity NPD7322 Clinical (unspecified phase)
0.5917 Remote Similarity NPD6011 Approved
0.5902 Remote Similarity NPD6401 Clinical (unspecified phase)
0.5897 Remote Similarity NPD5211 Phase 2
0.5895 Remote Similarity NPD371 Approved
0.5891 Remote Similarity NPD8328 Phase 3
0.5888 Remote Similarity NPD6400 Clinical (unspecified phase)
0.5882 Remote Similarity NPD3701 Clinical (unspecified phase)
0.5865 Remote Similarity NPD6683 Phase 2
0.5865 Remote Similarity NPD7645 Phase 2
0.5859 Remote Similarity NPD6015 Approved
0.5859 Remote Similarity NPD6016 Approved
0.5842 Remote Similarity NPD6924 Approved
0.5842 Remote Similarity NPD6926 Approved
0.5841 Remote Similarity NPD7748 Approved
0.5833 Remote Similarity NPD7520 Clinical (unspecified phase)
0.5833 Remote Similarity NPD6082 Clinical (unspecified phase)
0.5826 Remote Similarity NPD7902 Approved
0.5826 Remote Similarity NPD4755 Approved
0.582 Remote Similarity NPD4634 Approved
0.5814 Remote Similarity NPD5988 Approved
0.5804 Remote Similarity NPD7515 Phase 2
0.5804 Remote Similarity NPD6411 Approved
0.5798 Remote Similarity NPD5141 Approved
0.5794 Remote Similarity NPD5332 Approved
0.5794 Remote Similarity NPD5331 Approved
0.5789 Remote Similarity NPD1698 Clinical (unspecified phase)
0.5789 Remote Similarity NPD5695 Phase 3
0.5784 Remote Similarity NPD7339 Approved
0.5784 Remote Similarity NPD8264 Approved
0.5784 Remote Similarity NPD6942 Approved
0.5769 Remote Similarity NPD6118 Approved
0.5769 Remote Similarity NPD6697 Approved
0.5769 Remote Similarity NPD6114 Approved
0.5769 Remote Similarity NPD6115 Approved
0.5769 Remote Similarity NPD5784 Clinical (unspecified phase)
0.5766 Remote Similarity NPD1695 Approved
0.5758 Remote Similarity NPD4267 Clinical (unspecified phase)
0.5758 Remote Similarity NPD8074 Phase 3
0.5755 Remote Similarity NPD4790 Discontinued
0.5752 Remote Similarity NPD4202 Approved
0.5752 Remote Similarity NPD8171 Discontinued
0.5741 Remote Similarity NPD4786 Approved
0.5726 Remote Similarity NPD4700 Approved
0.5726 Remote Similarity NPD5286 Approved
0.5726 Remote Similarity NPD5285 Approved
0.5726 Remote Similarity NPD4696 Approved
0.5714 Remote Similarity NPD7136 Phase 2
0.5714 Remote Similarity NPD6274 Approved
0.5714 Remote Similarity NPD5785 Approved
0.5703 Remote Similarity NPD7100 Approved
0.5703 Remote Similarity NPD7101 Approved
0.5702 Remote Similarity NPD5282 Discontinued
0.5701 Remote Similarity NPD6435 Approved
0.5701 Remote Similarity NPD4269 Approved
0.5701 Remote Similarity NPD4270 Approved
0.5701 Remote Similarity NPD3667 Approved
0.5694 Remote Similarity NPD7625 Phase 1
0.5691 Remote Similarity NPD6421 Discontinued
0.5673 Remote Similarity NPD6116 Phase 1
0.5649 Remote Similarity NPD6067 Discontinued
0.5648 Remote Similarity NPD3670 Clinical (unspecified phase)
0.5648 Remote Similarity NPD3669 Approved
0.5641 Remote Similarity NPD5696 Approved

Structure

External Identifiers

PubChem CID   10863832
ChEMBL   CHEMBL517797
ZINC  

Physicochemical Properties

Molecular Weight:  484.23
ALogP:  -2.2385
MLogP:  3
XLogP:  -1.257
# Rotatable Bonds:  16
Polar Surface Area:  162.98
# H-Bond Aceptor:  10
# H-Bond Donor:  5
# Rings:  4
# Heavy Atoms:  34

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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