Natural Product: NPC472360

Natural Product ID:  NPC472360
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C26H38O8
Standard InCHIKey:  ZHOHEGNIMUDUCA-FJFDHSDVSA-N
Standard InCHI:  InChI=1S/C26H38O8/c1-12-18(30)9-10-26(8)21(12)22(32-14(3)27)17-11-19(31)13(2)20(25(17,6)7)23(33-15(4)28)24(26)34-16(5)29/h17-19,21-24,30-31H,1,9-11H2,2-8H3/t17-,18-,19-,21-,22+,23+,24-,26+/m0/s1
Canonical SMILES:  CC(=O)O[C@H]1[C@@H]2C(=C)[C@@H](O)CC[C@@]2(C)[C@@H](OC(=O)C)[C@@H](C2=C([C@H](C[C@@H]1C2(C)C)O)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
NPO24820 Taxus cuspidata Species Taxaceae Eukaryota Japan PMID[14987066]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Activity = 28 % 15711537

  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 NPC472360 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 NPC472416
0.9775 High Similarity NPC211810
0.9775 High Similarity NPC221801
0.9775 High Similarity NPC284194
0.9775 High Similarity NPC471765
0.9432 High Similarity NPC220216
0.9333 High Similarity NPC105375
0.9333 High Similarity NPC182826
0.9326 High Similarity NPC124374
0.9318 High Similarity NPC246028
0.9318 High Similarity NPC261320
0.9239 High Similarity NPC473244
0.9222 High Similarity NPC99653
0.913 High Similarity NPC129569
0.9091 High Similarity NPC471779
0.9022 High Similarity NPC37603
0.9022 High Similarity NPC471786
0.9 High Similarity NPC48732
0.8977 High Similarity NPC102996
0.8969 High Similarity NPC111952
0.8958 High Similarity NPC8196
0.8878 High Similarity NPC472390
0.8878 High Similarity NPC143609
0.8876 High Similarity NPC102640
0.8864 High Similarity NPC35933
0.8854 High Similarity NPC137430
0.8842 High Similarity NPC188968
0.8842 High Similarity NPC79303
0.8778 High Similarity NPC69713
0.8763 High Similarity NPC99266
0.87 High Similarity NPC475586
0.8673 High Similarity NPC473543
0.866 High Similarity NPC475344
0.866 High Similarity NPC476471
0.8646 High Similarity NPC271295
0.86 High Similarity NPC151393
0.8571 High Similarity NPC473523
0.8571 High Similarity NPC474124
0.8557 High Similarity NPC97435
0.8557 High Similarity NPC472554
0.8557 High Similarity NPC475617
0.8539 High Similarity NPC102048
0.8495 Intermediate Similarity NPC477574
0.8478 Intermediate Similarity NPC20946
0.8469 Intermediate Similarity NPC472552
0.8462 Intermediate Similarity NPC131329
0.8454 Intermediate Similarity NPC38855
0.8409 Intermediate Similarity NPC25554
0.8404 Intermediate Similarity NPC53555
0.8351 Intermediate Similarity NPC247233
0.8317 Intermediate Similarity NPC112780
0.8317 Intermediate Similarity NPC473586
0.8316 Intermediate Similarity NPC474922
0.8316 Intermediate Similarity NPC105490
0.83 Intermediate Similarity NPC470768
0.8298 Intermediate Similarity NPC234335
0.8298 Intermediate Similarity NPC41239
0.828 Intermediate Similarity NPC16265
0.8265 Intermediate Similarity NPC228251
0.8265 Intermediate Similarity NPC161527
0.8265 Intermediate Similarity NPC477972
0.8265 Intermediate Similarity NPC219285
0.8265 Intermediate Similarity NPC477971
0.8265 Intermediate Similarity NPC20113
0.8265 Intermediate Similarity NPC477968
0.8261 Intermediate Similarity NPC245004
0.8247 Intermediate Similarity NPC254121
0.8235 Intermediate Similarity NPC135015
0.8235 Intermediate Similarity NPC475263
0.8235 Intermediate Similarity NPC128795
0.8235 Intermediate Similarity NPC472439
0.8235 Intermediate Similarity NPC48548
0.8235 Intermediate Similarity NPC217921
0.8235 Intermediate Similarity NPC469916
0.8229 Intermediate Similarity NPC476720
0.8229 Intermediate Similarity NPC276110
0.8211 Intermediate Similarity NPC7349
0.82 Intermediate Similarity NPC7644
0.82 Intermediate Similarity NPC281378
0.82 Intermediate Similarity NPC7613
0.82 Intermediate Similarity NPC127933
0.82 Intermediate Similarity NPC475889
0.8191 Intermediate Similarity NPC78973
0.8182 Intermediate Similarity NPC235920
0.8182 Intermediate Similarity NPC96784
0.8182 Intermediate Similarity NPC11974
0.8182 Intermediate Similarity NPC242767
0.8173 Intermediate Similarity NPC17791
0.8155 Intermediate Similarity NPC316974
0.8155 Intermediate Similarity NPC40728
0.8144 Intermediate Similarity NPC88009
0.8144 Intermediate Similarity NPC276103
0.8144 Intermediate Similarity NPC57664
0.8144 Intermediate Similarity NPC54248
0.8144 Intermediate Similarity NPC165632
0.8144 Intermediate Similarity NPC475304
0.8137 Intermediate Similarity NPC475781
0.8137 Intermediate Similarity NPC471205
0.8137 Intermediate Similarity NPC88013
0.8137 Intermediate Similarity NPC125423
0.8132 Intermediate Similarity NPC83702
0.8125 Intermediate Similarity NPC469491
0.8119 Intermediate Similarity NPC473577
0.8119 Intermediate Similarity NPC470321
0.8119 Intermediate Similarity NPC475585
0.8119 Intermediate Similarity NPC474550
0.8119 Intermediate Similarity NPC201880
0.8119 Intermediate Similarity NPC264867
0.8119 Intermediate Similarity NPC473207
0.8119 Intermediate Similarity NPC81567
0.8111 Intermediate Similarity NPC256112
0.81 Intermediate Similarity NPC475038
0.81 Intermediate Similarity NPC109195
0.81 Intermediate Similarity NPC11956
0.81 Intermediate Similarity NPC295791
0.81 Intermediate Similarity NPC238397
0.81 Intermediate Similarity NPC471363
0.8095 Intermediate Similarity NPC328074
0.8095 Intermediate Similarity NPC321272
0.8095 Intermediate Similarity NPC470025
0.8095 Intermediate Similarity NPC317460
0.809 Intermediate Similarity NPC469802
0.8085 Intermediate Similarity NPC314727
0.8085 Intermediate Similarity NPC115607
0.8081 Intermediate Similarity NPC324841
0.8081 Intermediate Similarity NPC272223
0.8081 Intermediate Similarity NPC230546
0.8081 Intermediate Similarity NPC473510
0.8065 Intermediate Similarity NPC166857
0.8061 Intermediate Similarity NPC210337
0.8061 Intermediate Similarity NPC475033
0.8061 Intermediate Similarity NPC98112
0.8061 Intermediate Similarity NPC475032
0.8058 Intermediate Similarity NPC311223
0.8058 Intermediate Similarity NPC88701
0.8058 Intermediate Similarity NPC50124
0.8058 Intermediate Similarity NPC470024
0.8058 Intermediate Similarity NPC38948
0.8041 Intermediate Similarity NPC292178
0.8041 Intermediate Similarity NPC86893
0.8039 Intermediate Similarity NPC470763
0.8039 Intermediate Similarity NPC172867
0.8039 Intermediate Similarity NPC88349
0.8039 Intermediate Similarity NPC475290
0.8039 Intermediate Similarity NPC470767
0.8022 Intermediate Similarity NPC23748
0.8022 Intermediate Similarity NPC49208
0.802 Intermediate Similarity NPC473694
0.802 Intermediate Similarity NPC134270
0.802 Intermediate Similarity NPC23584
0.802 Intermediate Similarity NPC475623
0.802 Intermediate Similarity NPC159533
0.802 Intermediate Similarity NPC475334
0.8019 Intermediate Similarity NPC470027
0.8 Intermediate Similarity NPC476132
0.8 Intermediate Similarity NPC473921
0.8 Intermediate Similarity NPC475668
0.8 Intermediate Similarity NPC475480
0.8 Intermediate Similarity NPC209816
0.8 Intermediate Similarity NPC470817
0.8 Intermediate Similarity NPC280991
0.7981 Intermediate Similarity NPC206618
0.798 Intermediate Similarity NPC477928
0.798 Intermediate Similarity NPC275086
0.798 Intermediate Similarity NPC325229
0.7979 Intermediate Similarity NPC75443
0.7979 Intermediate Similarity NPC470260
0.7979 Intermediate Similarity NPC291665
0.7961 Intermediate Similarity NPC109376
0.7961 Intermediate Similarity NPC67321
0.7961 Intermediate Similarity NPC184512
0.7961 Intermediate Similarity NPC187435
0.7959 Intermediate Similarity NPC472995
0.7959 Intermediate Similarity NPC171598
0.7957 Intermediate Similarity NPC255143
0.7957 Intermediate Similarity NPC476217
0.7957 Intermediate Similarity NPC473226
0.7957 Intermediate Similarity NPC471219
0.7957 Intermediate Similarity NPC475684
0.7941 Intermediate Similarity NPC201144
0.7941 Intermediate Similarity NPC80809
0.7941 Intermediate Similarity NPC181104
0.7941 Intermediate Similarity NPC475331
0.7941 Intermediate Similarity NPC152966
0.7941 Intermediate Similarity NPC288502
0.7941 Intermediate Similarity NPC121518
0.7941 Intermediate Similarity NPC475335
0.7941 Intermediate Similarity NPC103298
0.7938 Intermediate Similarity NPC57117
0.7921 Intermediate Similarity NPC165578
0.7917 Intermediate Similarity NPC8729
0.7917 Intermediate Similarity NPC249034
0.7905 Intermediate Similarity NPC119550
0.7905 Intermediate Similarity NPC177047
0.7905 Intermediate Similarity NPC475563
0.7905 Intermediate Similarity NPC475134
0.7905 Intermediate Similarity NPC316708
0.79 Intermediate Similarity NPC64348
0.79 Intermediate Similarity NPC251680
0.79 Intermediate Similarity NPC476195

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC472360 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
0.79 Intermediate Similarity NPD7640 Approved
0.79 Intermediate Similarity NPD7639 Approved
0.78 Intermediate Similarity NPD7638 Approved
0.7647 Intermediate Similarity NPD5344 Discontinued
0.7624 Intermediate Similarity NPD4225 Approved
0.7404 Intermediate Similarity NPD7632 Discontinued
0.7379 Intermediate Similarity NPD6648 Approved
0.7315 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7257 Intermediate Similarity NPD7327 Approved
0.7257 Intermediate Similarity NPD7328 Approved
0.7248 Intermediate Similarity NPD5955 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD6686 Approved
0.7217 Intermediate Similarity NPD8033 Approved
0.7193 Intermediate Similarity NPD7516 Approved
0.713 Intermediate Similarity NPD8294 Approved
0.713 Intermediate Similarity NPD8377 Approved
0.71 Intermediate Similarity NPD7838 Discovery
0.71 Intermediate Similarity NPD46 Approved
0.71 Intermediate Similarity NPD6698 Approved
0.7069 Intermediate Similarity NPD8335 Approved
0.7069 Intermediate Similarity NPD8296 Approved
0.7069 Intermediate Similarity NPD8378 Approved
0.7069 Intermediate Similarity NPD8379 Approved
0.7069 Intermediate Similarity NPD8380 Approved
0.7069 Intermediate Similarity NPD7503 Approved
0.7018 Intermediate Similarity NPD7115 Discovery
0.7 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.6972 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6961 Remote Similarity NPD5779 Approved
0.6961 Remote Similarity NPD5778 Approved
0.6961 Remote Similarity NPD6399 Phase 3
0.6952 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6893 Remote Similarity NPD7748 Approved
0.6863 Remote Similarity NPD7515 Phase 2
0.6863 Remote Similarity NPD7637 Suspended
0.6857 Remote Similarity NPD7902 Approved
0.6842 Remote Similarity NPD7645 Phase 2
0.6837 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6837 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6833 Remote Similarity NPD7507 Approved
0.6832 Remote Similarity NPD6051 Approved
0.68 Remote Similarity NPD7524 Approved
0.6774 Remote Similarity NPD8264 Approved
0.6771 Remote Similarity NPD7525 Registered
0.6757 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6754 Remote Similarity NPD8133 Approved
0.6735 Remote Similarity NPD6695 Phase 3
0.6724 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6699 Remote Similarity NPD7983 Approved
0.6667 Remote Similarity NPD8297 Approved
0.6667 Remote Similarity NPD7319 Approved
0.6639 Remote Similarity NPD8516 Approved
0.6639 Remote Similarity NPD8517 Approved
0.6639 Remote Similarity NPD8515 Approved
0.6639 Remote Similarity NPD8513 Phase 3
0.6634 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6609 Remote Similarity NPD4632 Approved
0.6596 Remote Similarity NPD7339 Approved
0.6596 Remote Similarity NPD6942 Approved
0.6577 Remote Similarity NPD5739 Approved
0.6577 Remote Similarity NPD7128 Approved
0.6577 Remote Similarity NPD6675 Approved
0.6577 Remote Similarity NPD6402 Approved
0.6571 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6571 Remote Similarity NPD7900 Approved
0.6555 Remote Similarity NPD6319 Approved
0.6549 Remote Similarity NPD6373 Approved
0.6549 Remote Similarity NPD6372 Approved
0.6538 Remote Similarity NPD8035 Phase 2
0.6538 Remote Similarity NPD8034 Phase 2
0.6538 Remote Similarity NPD6411 Approved
0.6529 Remote Similarity NPD8328 Phase 3
0.6526 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6522 Remote Similarity NPD6053 Discontinued
0.6518 Remote Similarity NPD6412 Phase 2
0.65 Remote Similarity NPD4786 Approved
0.6495 Remote Similarity NPD6929 Approved
0.6491 Remote Similarity NPD6371 Approved
0.6471 Remote Similarity NPD7750 Discontinued
0.6465 Remote Similarity NPD3667 Approved
0.6465 Remote Similarity NPD4752 Clinical (unspecified phase)
0.646 Remote Similarity NPD6881 Approved
0.646 Remote Similarity NPD7320 Approved
0.646 Remote Similarity NPD6899 Approved
0.6441 Remote Similarity NPD6009 Approved
0.6436 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6436 Remote Similarity NPD1694 Approved
0.6435 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6435 Remote Similarity NPD6650 Approved
0.6435 Remote Similarity NPD6649 Approved
0.6429 Remote Similarity NPD6931 Approved
0.6429 Remote Similarity NPD6008 Approved
0.6429 Remote Similarity NPD6930 Phase 2
0.6393 Remote Similarity NPD7604 Phase 2
0.6379 Remote Similarity NPD6882 Approved
0.6373 Remote Similarity NPD3618 Phase 1
0.6372 Remote Similarity NPD5697 Approved
0.6372 Remote Similarity NPD5701 Approved
0.6371 Remote Similarity NPD8074 Phase 3
0.6364 Remote Similarity NPD4159 Approved
0.6364 Remote Similarity NPD5983 Phase 2
0.6348 Remote Similarity NPD7102 Approved
0.6348 Remote Similarity NPD7290 Approved
0.6348 Remote Similarity NPD6883 Approved
0.6346 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6346 Remote Similarity NPD6101 Approved
0.6346 Remote Similarity NPD5328 Approved
0.6341 Remote Similarity NPD7492 Approved
0.6316 Remote Similarity NPD6011 Approved
0.6311 Remote Similarity NPD4250 Approved
0.6311 Remote Similarity NPD4251 Approved
0.6299 Remote Similarity NPD7260 Phase 2
0.6296 Remote Similarity NPD4792 Clinical (unspecified phase)
0.6293 Remote Similarity NPD6847 Approved
0.6293 Remote Similarity NPD6869 Approved
0.6293 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6293 Remote Similarity NPD6617 Approved
0.6293 Remote Similarity NPD8130 Phase 1
0.629 Remote Similarity NPD6336 Discontinued
0.629 Remote Similarity NPD6616 Approved
0.6289 Remote Similarity NPD5776 Phase 2
0.6289 Remote Similarity NPD6925 Approved
0.6286 Remote Similarity NPD3168 Discontinued
0.6281 Remote Similarity NPD6054 Approved
0.6281 Remote Similarity NPD6059 Approved
0.6275 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6263 Remote Similarity NPD7514 Phase 3
0.6263 Remote Similarity NPD7332 Phase 2
0.6263 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6261 Remote Similarity NPD6013 Approved
0.6261 Remote Similarity NPD6012 Approved
0.6261 Remote Similarity NPD6014 Approved
0.624 Remote Similarity NPD7078 Approved
0.624 Remote Similarity NPD8293 Discontinued
0.6239 Remote Similarity NPD6084 Phase 2
0.6239 Remote Similarity NPD6083 Phase 2
0.623 Remote Similarity NPD6921 Approved
0.6228 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6226 Remote Similarity NPD6079 Approved
0.6226 Remote Similarity NPD7087 Discontinued
0.6224 Remote Similarity NPD7145 Approved
0.6214 Remote Similarity NPD7334 Approved
0.6214 Remote Similarity NPD5330 Approved
0.6214 Remote Similarity NPD6409 Approved
0.6214 Remote Similarity NPD7146 Approved
0.6214 Remote Similarity NPD6684 Approved
0.6214 Remote Similarity NPD7521 Approved
0.6214 Remote Similarity NPD4249 Approved
0.62 Remote Similarity NPD6902 Approved
0.619 Remote Similarity NPD7736 Approved
0.6186 Remote Similarity NPD6933 Approved
0.618 Remote Similarity NPD368 Approved
0.6179 Remote Similarity NPD6370 Approved
0.6168 Remote Similarity NPD4202 Approved
0.6161 Remote Similarity NPD5211 Phase 2
0.6146 Remote Similarity NPD6926 Approved
0.6146 Remote Similarity NPD6924 Approved
0.614 Remote Similarity NPD6640 Phase 3
0.6132 Remote Similarity NPD5785 Approved
0.6129 Remote Similarity NPD6067 Discontinued
0.6124 Remote Similarity NPD6845 Suspended
0.6117 Remote Similarity NPD6893 Approved
0.61 Remote Similarity NPD4819 Approved
0.61 Remote Similarity NPD4748 Discontinued
0.61 Remote Similarity NPD7509 Discontinued
0.61 Remote Similarity NPD4822 Approved
0.61 Remote Similarity NPD4820 Approved
0.61 Remote Similarity NPD4821 Approved
0.6098 Remote Similarity NPD6016 Approved
0.6098 Remote Similarity NPD6015 Approved
0.6095 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6095 Remote Similarity NPD6903 Approved
0.6095 Remote Similarity NPD5737 Approved
0.6095 Remote Similarity NPD6672 Approved
0.6091 Remote Similarity NPD4755 Approved
0.6082 Remote Similarity NPD8039 Approved
0.6078 Remote Similarity NPD7154 Phase 3
0.6078 Remote Similarity NPD5362 Discontinued
0.6061 Remote Similarity NPD6114 Approved
0.6061 Remote Similarity NPD6115 Approved
0.6061 Remote Similarity NPD4268 Approved
0.6061 Remote Similarity NPD6697 Approved
0.6061 Remote Similarity NPD6118 Approved
0.6061 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6061 Remote Similarity NPD4271 Approved
0.6061 Remote Similarity NPD7322 Clinical (unspecified phase)
0.6055 Remote Similarity NPD5695 Phase 3
0.6053 Remote Similarity NPD5141 Approved
0.6048 Remote Similarity NPD5988 Approved
0.6044 Remote Similarity NPD5325 Clinical (unspecified phase)
0.604 Remote Similarity NPD6898 Phase 1
0.6019 Remote Similarity NPD3666 Approved
0.6019 Remote Similarity NPD3668 Phase 3
0.6019 Remote Similarity NPD3665 Phase 1
0.6019 Remote Similarity NPD3133 Approved
0.6018 Remote Similarity NPD3653 Clinical (unspecified phase)
0.6 Remote Similarity NPD7839 Suspended
0.6 Remote Similarity NPD5222 Approved
0.6 Remote Similarity NPD7532 Clinical (unspecified phase)
0.6 Remote Similarity NPD3573 Approved

Structure

External Identifiers

PubChem CID   44351329
ChEMBL   CHEMBL337975
ZINC  

Physicochemical Properties

Molecular Weight:  478.26
ALogP:  0.5937
MLogP:  3.44
XLogP:  1.785
# Rotatable Bonds:  15
Polar Surface Area:  119.36
# H-Bond Aceptor:  8
# H-Bond Donor:  2
# Rings:  3
# Heavy Atoms:  34

Download Data

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