Natural Product: NPC99266

Natural Product ID:  NPC99266
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C22H32O6
Standard InCHIKey:  XFEUMJJMSJHHTG-SEDSALCPSA-N
Standard InCHI:  InChI=1S/C22H32O6/c1-10-14(24)7-8-22(6)16(10)18(26)13-9-15(25)11(2)17(21(13,4)5)19(20(22)27)28-12(3)23/h13-14,16,18-20,24,26-27H,1,7-9H2,2-6H3/t13-,14-,16-,18+,19+,20-,22+/m0/s1
Canonical SMILES:  CC(=O)O[C@H]1[C@H](O)[C@]2(C)CC[C@@H](C(=C)[C@H]2[C@@H]([C@H]2C(C1=C(C)C(=O)C2)(C)C)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
NPO33211 japanese yew Species NA NA PMID[9873389]
NPO24820 Taxus cuspidata 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 9873389
NPT2 Others Unspecified IC50 > 10 ug/ml 9873389

  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 NPC99266 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
0.9895 High Similarity NPC137430
0.9792 High Similarity NPC8196
0.9789 High Similarity NPC97435
0.9596 High Similarity NPC151393
0.9495 High Similarity NPC143609
0.9394 High Similarity NPC111952
0.902 High Similarity NPC469916
0.902 High Similarity NPC472439
0.8854 High Similarity NPC99653
0.8812 High Similarity NPC159533
0.8763 High Similarity NPC472360
0.8763 High Similarity NPC472416
0.8762 High Similarity NPC317107
0.875 High Similarity NPC124374
0.8738 High Similarity NPC67321
0.8738 High Similarity NPC112780
0.8738 High Similarity NPC187435
0.8713 High Similarity NPC295791
0.8679 High Similarity NPC317687
0.8646 High Similarity NPC48732
0.8646 High Similarity NPC220216
0.8641 High Similarity NPC472389
0.8586 High Similarity NPC284194
0.8586 High Similarity NPC221801
0.8586 High Similarity NPC211810
0.8586 High Similarity NPC471765
0.8542 High Similarity NPC261320
0.8529 High Similarity NPC469606
0.8529 High Similarity NPC273005
0.8529 High Similarity NPC31058
0.8505 High Similarity NPC236217
0.8485 Intermediate Similarity NPC471786
0.8485 Intermediate Similarity NPC37603
0.8476 Intermediate Similarity NPC306265
0.8476 Intermediate Similarity NPC322903
0.8454 Intermediate Similarity NPC232202
0.8431 Intermediate Similarity NPC303559
0.8426 Intermediate Similarity NPC471204
0.8416 Intermediate Similarity NPC222303
0.8411 Intermediate Similarity NPC324683
0.8411 Intermediate Similarity NPC188738
0.84 Intermediate Similarity NPC202833
0.8381 Intermediate Similarity NPC230541
0.8378 Intermediate Similarity NPC475041
0.8365 Intermediate Similarity NPC296950
0.8365 Intermediate Similarity NPC146731
0.8351 Intermediate Similarity NPC246028
0.835 Intermediate Similarity NPC165250
0.835 Intermediate Similarity NPC476081
0.8333 Intermediate Similarity NPC471779
0.8333 Intermediate Similarity NPC476801
0.8333 Intermediate Similarity NPC269530
0.8318 Intermediate Similarity NPC5103
0.8302 Intermediate Similarity NPC189075
0.8302 Intermediate Similarity NPC275539
0.8302 Intermediate Similarity NPC476479
0.8286 Intermediate Similarity NPC469607
0.8286 Intermediate Similarity NPC102352
0.8269 Intermediate Similarity NPC471208
0.8269 Intermediate Similarity NPC95899
0.8269 Intermediate Similarity NPC478057
0.8257 Intermediate Similarity NPC469463
0.8257 Intermediate Similarity NPC469454
0.8257 Intermediate Similarity NPC469496
0.8247 Intermediate Similarity NPC69713
0.8235 Intermediate Similarity NPC478056
0.8235 Intermediate Similarity NPC216478
0.8235 Intermediate Similarity NPC23364
0.823 Intermediate Similarity NPC67569
0.8224 Intermediate Similarity NPC475586
0.8224 Intermediate Similarity NPC141350
0.8224 Intermediate Similarity NPC273433
0.8218 Intermediate Similarity NPC129569
0.8208 Intermediate Similarity NPC144854
0.8208 Intermediate Similarity NPC3316
0.8208 Intermediate Similarity NPC110496
0.82 Intermediate Similarity NPC182826
0.82 Intermediate Similarity NPC250075
0.82 Intermediate Similarity NPC196227
0.82 Intermediate Similarity NPC105375
0.8198 Intermediate Similarity NPC473968
0.819 Intermediate Similarity NPC258532
0.819 Intermediate Similarity NPC118911
0.8182 Intermediate Similarity NPC116726
0.8173 Intermediate Similarity NPC472552
0.8165 Intermediate Similarity NPC472002
0.8158 Intermediate Similarity NPC470265
0.8158 Intermediate Similarity NPC23786
0.8158 Intermediate Similarity NPC269642
0.8155 Intermediate Similarity NPC47024
0.8155 Intermediate Similarity NPC38855
0.8155 Intermediate Similarity NPC476274
0.8148 Intermediate Similarity NPC235014
0.8148 Intermediate Similarity NPC478211
0.8144 Intermediate Similarity NPC102640
0.8142 Intermediate Similarity NPC48692
0.8137 Intermediate Similarity NPC473244
0.8137 Intermediate Similarity NPC151681
0.8137 Intermediate Similarity NPC121402
0.8137 Intermediate Similarity NPC175351
0.8137 Intermediate Similarity NPC224356
0.8137 Intermediate Similarity NPC254496
0.8137 Intermediate Similarity NPC132753
0.8137 Intermediate Similarity NPC320306
0.8137 Intermediate Similarity NPC474343
0.8137 Intermediate Similarity NPC474395
0.8131 Intermediate Similarity NPC476802
0.8131 Intermediate Similarity NPC325054
0.8131 Intermediate Similarity NPC154608
0.8131 Intermediate Similarity NPC89171
0.8131 Intermediate Similarity NPC192813
0.8131 Intermediate Similarity NPC277017
0.8131 Intermediate Similarity NPC88701
0.8119 Intermediate Similarity NPC53565
0.8119 Intermediate Similarity NPC183012
0.8113 Intermediate Similarity NPC127609
0.8113 Intermediate Similarity NPC323834
0.8108 Intermediate Similarity NPC471127
0.8108 Intermediate Similarity NPC234858
0.8108 Intermediate Similarity NPC176840
0.8108 Intermediate Similarity NPC154363
0.81 Intermediate Similarity NPC199543
0.81 Intermediate Similarity NPC53555
0.8095 Intermediate Similarity NPC120321
0.8095 Intermediate Similarity NPC69171
0.8095 Intermediate Similarity NPC474165
0.8091 Intermediate Similarity NPC25909
0.8091 Intermediate Similarity NPC250109
0.8091 Intermediate Similarity NPC962
0.8087 Intermediate Similarity NPC469789
0.8081 Intermediate Similarity NPC158488
0.8077 Intermediate Similarity NPC476240
0.8077 Intermediate Similarity NPC476223
0.8077 Intermediate Similarity NPC115862
0.8077 Intermediate Similarity NPC471412
0.8077 Intermediate Similarity NPC472554
0.8077 Intermediate Similarity NPC224720
0.8073 Intermediate Similarity NPC100329
0.8073 Intermediate Similarity NPC475480
0.8073 Intermediate Similarity NPC304180
0.8073 Intermediate Similarity NPC179798
0.8073 Intermediate Similarity NPC475668
0.8073 Intermediate Similarity NPC473921
0.8073 Intermediate Similarity NPC132790
0.8073 Intermediate Similarity NPC97939
0.8073 Intermediate Similarity NPC247031
0.8058 Intermediate Similarity NPC316598
0.8056 Intermediate Similarity NPC472216
0.8056 Intermediate Similarity NPC284828
0.8056 Intermediate Similarity NPC87335
0.8056 Intermediate Similarity NPC173905
0.8056 Intermediate Similarity NPC5475
0.8053 Intermediate Similarity NPC476529
0.8053 Intermediate Similarity NPC475775
0.8041 Intermediate Similarity NPC473226
0.8041 Intermediate Similarity NPC102996
0.8039 Intermediate Similarity NPC472362
0.8039 Intermediate Similarity NPC7124
0.8039 Intermediate Similarity NPC91439
0.8039 Intermediate Similarity NPC134072
0.8039 Intermediate Similarity NPC234993
0.8039 Intermediate Similarity NPC154526
0.8039 Intermediate Similarity NPC472363
0.8037 Intermediate Similarity NPC472390
0.8037 Intermediate Similarity NPC473586
0.8036 Intermediate Similarity NPC284068
0.8036 Intermediate Similarity NPC469684
0.8036 Intermediate Similarity NPC10721
0.8036 Intermediate Similarity NPC98249
0.8036 Intermediate Similarity NPC53396
0.802 Intermediate Similarity NPC469491
0.802 Intermediate Similarity NPC470957
0.802 Intermediate Similarity NPC57117
0.802 Intermediate Similarity NPC470958
0.8019 Intermediate Similarity NPC65523
0.8019 Intermediate Similarity NPC470104
0.8018 Intermediate Similarity NPC110861
0.8018 Intermediate Similarity NPC474181
0.8018 Intermediate Similarity NPC472400
0.8018 Intermediate Similarity NPC181145
0.8 Intermediate Similarity NPC470063
0.8 Intermediate Similarity NPC136289
0.8 Intermediate Similarity NPC473944
0.8 Intermediate Similarity NPC186363
0.8 Intermediate Similarity NPC303697
0.8 Intermediate Similarity NPC162973
0.8 Intermediate Similarity NPC475972
0.8 Intermediate Similarity NPC194951
0.8 Intermediate Similarity NPC476126
0.8 Intermediate Similarity NPC12046
0.8 Intermediate Similarity NPC477574
0.8 Intermediate Similarity NPC183571
0.8 Intermediate Similarity NPC80781
0.8 Intermediate Similarity NPC233345
0.8 Intermediate Similarity NPC476235
0.7982 Intermediate Similarity NPC37116
0.7982 Intermediate Similarity NPC475134
0.7982 Intermediate Similarity NPC472417
0.7982 Intermediate Similarity NPC286880
0.7982 Intermediate Similarity NPC109607

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC99266 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
0.7981 Intermediate Similarity NPD7640 Approved
0.7981 Intermediate Similarity NPD7639 Approved
0.789 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7885 Intermediate Similarity NPD4225 Approved
0.7885 Intermediate Similarity NPD7638 Approved
0.7876 Intermediate Similarity NPD7115 Discovery
0.7798 Intermediate Similarity NPD6686 Approved
0.7723 Intermediate Similarity NPD6698 Approved
0.7723 Intermediate Similarity NPD46 Approved
0.7658 Intermediate Similarity NPD5955 Clinical (unspecified phase)
0.7619 Intermediate Similarity NPD7902 Approved
0.7573 Intermediate Similarity NPD6399 Phase 3
0.75 Intermediate Similarity NPD7748 Approved
0.75 Intermediate Similarity NPD7632 Discontinued
0.75 Intermediate Similarity NPD6371 Approved
0.7476 Intermediate Similarity NPD7515 Phase 2
0.7411 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.7407 Intermediate Similarity NPD5344 Discontinued
0.7387 Intermediate Similarity NPD5954 Clinical (unspecified phase)
0.7387 Intermediate Similarity NPD6412 Phase 2
0.7333 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD7900 Approved
0.7321 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7304 Intermediate Similarity NPD4632 Approved
0.7238 Intermediate Similarity NPD5778 Approved
0.7238 Intermediate Similarity NPD5779 Approved
0.7228 Intermediate Similarity NPD1694 Approved
0.7213 Intermediate Similarity NPD7507 Approved
0.719 Intermediate Similarity NPD8328 Phase 3
0.7157 Intermediate Similarity NPD3618 Phase 1
0.7143 Intermediate Similarity NPD6402 Approved
0.7143 Intermediate Similarity NPD7128 Approved
0.7143 Intermediate Similarity NPD6008 Approved
0.7143 Intermediate Similarity NPD5739 Approved
0.7143 Intermediate Similarity NPD6675 Approved
0.7105 Intermediate Similarity NPD6372 Approved
0.7105 Intermediate Similarity NPD6373 Approved
0.71 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD6319 Approved
0.7069 Intermediate Similarity NPD6053 Discontinued
0.7069 Intermediate Similarity NPD8297 Approved
0.7064 Intermediate Similarity NPD8029 Clinical (unspecified phase)
0.7048 Intermediate Similarity NPD5785 Approved
0.7048 Intermediate Similarity NPD7838 Discovery
0.704 Intermediate Similarity NPD7319 Approved
0.7018 Intermediate Similarity NPD6899 Approved
0.7018 Intermediate Similarity NPD6881 Approved
0.7018 Intermediate Similarity NPD7320 Approved
0.7009 Intermediate Similarity NPD8133 Approved
0.7 Intermediate Similarity NPD6648 Approved
0.699 Remote Similarity NPD5330 Approved
0.699 Remote Similarity NPD7146 Approved
0.699 Remote Similarity NPD7521 Approved
0.699 Remote Similarity NPD6684 Approved
0.699 Remote Similarity NPD6409 Approved
0.699 Remote Similarity NPD7334 Approved
0.6983 Remote Similarity NPD6650 Approved
0.6983 Remote Similarity NPD6649 Approved
0.6981 Remote Similarity NPD7983 Approved
0.6975 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6975 Remote Similarity NPD6009 Approved
0.6972 Remote Similarity NPD6084 Phase 2
0.6972 Remote Similarity NPD6083 Phase 2
0.6961 Remote Similarity NPD4786 Approved
0.6952 Remote Similarity NPD5328 Approved
0.6931 Remote Similarity NPD3667 Approved
0.693 Remote Similarity NPD5701 Approved
0.693 Remote Similarity NPD7899 Clinical (unspecified phase)
0.693 Remote Similarity NPD5697 Approved
0.6917 Remote Similarity NPD7327 Approved
0.6917 Remote Similarity NPD7328 Approved
0.6911 Remote Similarity NPD7604 Phase 2
0.6897 Remote Similarity NPD6883 Approved
0.6897 Remote Similarity NPD7102 Approved
0.6897 Remote Similarity NPD7290 Approved
0.6885 Remote Similarity NPD8033 Approved
0.6885 Remote Similarity NPD8516 Approved
0.6885 Remote Similarity NPD5983 Phase 2
0.6885 Remote Similarity NPD8513 Phase 3
0.6885 Remote Similarity NPD8515 Approved
0.6885 Remote Similarity NPD8517 Approved
0.687 Remote Similarity NPD6011 Approved
0.686 Remote Similarity NPD7516 Approved
0.6857 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6857 Remote Similarity NPD6672 Approved
0.6857 Remote Similarity NPD5737 Approved
0.6857 Remote Similarity NPD6903 Approved
0.6855 Remote Similarity NPD7492 Approved
0.6838 Remote Similarity NPD6869 Approved
0.6838 Remote Similarity NPD8130 Phase 1
0.6838 Remote Similarity NPD6847 Approved
0.6838 Remote Similarity NPD6617 Approved
0.6838 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6838 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6822 Remote Similarity NPD6079 Approved
0.6822 Remote Similarity NPD6411 Approved
0.6822 Remote Similarity NPD8034 Phase 2
0.6822 Remote Similarity NPD8035 Phase 2
0.681 Remote Similarity NPD6012 Approved
0.681 Remote Similarity NPD6013 Approved
0.681 Remote Similarity NPD6014 Approved
0.6803 Remote Similarity NPD8377 Approved
0.6803 Remote Similarity NPD6059 Approved
0.6803 Remote Similarity NPD8294 Approved
0.6803 Remote Similarity NPD6054 Approved
0.68 Remote Similarity NPD6616 Approved
0.68 Remote Similarity NPD6336 Discontinued
0.6797 Remote Similarity NPD7260 Phase 2
0.6796 Remote Similarity NPD3665 Phase 1
0.6796 Remote Similarity NPD3133 Approved
0.6796 Remote Similarity NPD3666 Approved
0.6789 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6789 Remote Similarity NPD5695 Phase 3
0.678 Remote Similarity NPD6882 Approved
0.6759 Remote Similarity NPD4202 Approved
0.6757 Remote Similarity NPD5696 Approved
0.6748 Remote Similarity NPD8335 Approved
0.6748 Remote Similarity NPD7503 Approved
0.6748 Remote Similarity NPD8379 Approved
0.6748 Remote Similarity NPD8296 Approved
0.6748 Remote Similarity NPD8378 Approved
0.6748 Remote Similarity NPD8380 Approved
0.6746 Remote Similarity NPD8293 Discontinued
0.6746 Remote Similarity NPD7078 Approved
0.6727 Remote Similarity NPD4697 Phase 3
0.6726 Remote Similarity NPD5211 Phase 2
0.6699 Remote Similarity NPD6110 Phase 1
0.6694 Remote Similarity NPD6370 Approved
0.6693 Remote Similarity NPD7736 Approved
0.6667 Remote Similarity NPD4755 Approved
0.6667 Remote Similarity NPD5284 Approved
0.6667 Remote Similarity NPD5693 Phase 1
0.6667 Remote Similarity NPD5281 Approved
0.6667 Remote Similarity NPD7637 Suspended
0.664 Remote Similarity NPD6067 Discontinued
0.6636 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6636 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6636 Remote Similarity NPD6101 Approved
0.6636 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6635 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6615 Remote Similarity NPD6845 Suspended
0.6614 Remote Similarity NPD8074 Phase 3
0.6613 Remote Similarity NPD6016 Approved
0.6613 Remote Similarity NPD6921 Approved
0.6613 Remote Similarity NPD6015 Approved
0.661 Remote Similarity NPD4634 Approved
0.6609 Remote Similarity NPD5141 Approved
0.6604 Remote Similarity NPD3573 Approved
0.6577 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6577 Remote Similarity NPD5222 Approved
0.6577 Remote Similarity NPD5221 Approved
0.6571 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6571 Remote Similarity NPD5363 Approved
0.6569 Remote Similarity NPD4695 Discontinued
0.656 Remote Similarity NPD5988 Approved
0.6549 Remote Similarity NPD4700 Approved
0.6549 Remote Similarity NPD4696 Approved
0.6549 Remote Similarity NPD5285 Approved
0.6549 Remote Similarity NPD5286 Approved
0.6545 Remote Similarity NPD5282 Discontinued
0.6535 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6518 Remote Similarity NPD5173 Approved
0.6509 Remote Similarity NPD4519 Discontinued
0.6509 Remote Similarity NPD4623 Approved
0.6509 Remote Similarity NPD5279 Phase 3
0.6504 Remote Similarity NPD6335 Approved
0.6491 Remote Similarity NPD5223 Approved
0.6481 Remote Similarity NPD6904 Approved
0.6481 Remote Similarity NPD6080 Approved
0.6481 Remote Similarity NPD6673 Approved
0.6481 Remote Similarity NPD4753 Phase 2
0.6476 Remote Similarity NPD3668 Phase 3
0.6475 Remote Similarity NPD6274 Approved
0.6475 Remote Similarity NPD6868 Approved
0.6452 Remote Similarity NPD7101 Approved
0.6452 Remote Similarity NPD7100 Approved
0.6449 Remote Similarity NPD7524 Approved
0.6442 Remote Similarity NPD4269 Approved
0.6442 Remote Similarity NPD4270 Approved
0.6435 Remote Similarity NPD5226 Approved
0.6435 Remote Similarity NPD5225 Approved
0.6435 Remote Similarity NPD4633 Approved
0.6435 Remote Similarity NPD5224 Approved
0.6434 Remote Similarity NPD6033 Approved
0.6423 Remote Similarity NPD6317 Approved
0.6408 Remote Similarity NPD8259 Clinical (unspecified phase)
0.64 Remote Similarity NPD8039 Approved
0.6381 Remote Similarity NPD5362 Discontinued
0.6381 Remote Similarity NPD7154 Phase 3
0.6379 Remote Similarity NPD5175 Approved
0.6379 Remote Similarity NPD4754 Approved
0.6379 Remote Similarity NPD5174 Approved
0.6371 Remote Similarity NPD6313 Approved
0.6371 Remote Similarity NPD6314 Approved
0.6364 Remote Similarity NPD6050 Approved
0.6355 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6355 Remote Similarity NPD5786 Approved
0.6349 Remote Similarity NPD6909 Approved
0.6349 Remote Similarity NPD6908 Approved
0.6349 Remote Similarity NPD6291 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   10668245
ChEMBL   CHEMBL289475
ZINC  

Physicochemical Properties

Molecular Weight:  392.22
ALogP:  -0.1384
MLogP:  3.22
XLogP:  0.362
# Rotatable Bonds:  10
Polar Surface Area:  104.06
# H-Bond Aceptor:  6
# H-Bond Donor:  3
# Rings:  3
# Heavy Atoms:  28

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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