Natural Product: NPC473439

Natural Product ID:  NPC473439
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C39H48O12
Standard InCHIKey:  LNTSYHPESCVWKP-LKXFKGTJSA-N
Standard InCHI:  InChI=1S/C39H48O12/c1-20-29(46-22(3)40)18-28-35(48-24(5)42)34-21(2)30(51-32(45)17-16-27-14-12-11-13-15-27)19-31(47-23(4)41)39(34,10)37(50-26(7)44)36(49-25(6)43)33(20)38(28,8)9/h11-17,28-31,34-37H,2,18-19H2,1,3-10H3/b17-16+/t28-,29-,30-,31-,34-,35+,36+,37-,39+/m0/s1
Canonical SMILES:  CC(=O)O[C@H]1C[C@H](OC(=O)/C=C/c2ccccc2)C(=C)[C@@H]2[C@]1(C)[C@@H](OC(=O)C)[C@H](OC(=O)C)C1=C([C@H](C[C@@H]([C@H]2OC(=O)C)C1(C)C)OC(=O)C)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
NPO29841 Taxus yunnanensis Species Taxaceae Eukaryota PMID[12217376]
NPO31343 Taxus chinensis Species Taxaceae Eukaryota PMID[12217376]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1178 Cell Line KB 3-1 Homo sapiens ED50 = 14.2 ug/ml 16180822
NPT1178 Cell Line KB 3-1 Homo sapiens ED50 = 16.2 ug/ml 18077425

  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 NPC473439 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 NPC300827
0.9735 High Similarity NPC89324
0.9658 High Similarity NPC471758
0.9576 High Similarity NPC45821
0.9569 High Similarity NPC473749
0.9487 High Similarity NPC12016
0.9417 High Similarity NPC195224
0.9407 High Similarity NPC472373
0.9339 High Similarity NPC93632
0.913 High Similarity NPC476476
0.9083 High Similarity NPC469742
0.9076 High Similarity NPC70973
0.9032 High Similarity NPC472418
0.9008 High Similarity NPC473083
0.8992 High Similarity NPC37641
0.8992 High Similarity NPC311175
0.8974 High Similarity NPC84129
0.896 High Similarity NPC80599
0.8934 High Similarity NPC473110
0.8934 High Similarity NPC473111
0.8871 High Similarity NPC225103
0.8862 High Similarity NPC473423
0.8852 High Similarity NPC114927
0.88 High Similarity NPC473443
0.88 High Similarity NPC472388
0.878 High Similarity NPC476970
0.878 High Similarity NPC473082
0.876 High Similarity NPC475328
0.8739 High Similarity NPC473860
0.873 High Similarity NPC472361
0.8729 High Similarity NPC470820
0.8718 High Similarity NPC473869
0.871 High Similarity NPC476971
0.871 High Similarity NPC476972
0.8699 High Similarity NPC284022
0.8667 High Similarity NPC470814
0.8661 High Similarity NPC472394
0.8661 High Similarity NPC209851
0.864 High Similarity NPC230331
0.8629 High Similarity NPC470158
0.8629 High Similarity NPC475933
0.8594 High Similarity NPC472437
0.8583 High Similarity NPC476977
0.8538 High Similarity NPC472374
0.8538 High Similarity NPC472372
0.8516 High Similarity NPC475493
0.8516 High Similarity NPC471880
0.8516 High Similarity NPC476976
0.8496 Intermediate Similarity NPC34012
0.8492 Intermediate Similarity NPC58061
0.8473 Intermediate Similarity NPC184109
0.8455 Intermediate Similarity NPC473889
0.8387 Intermediate Similarity NPC473870
0.8387 Intermediate Similarity NPC473871
0.8321 Intermediate Similarity NPC195647
0.8321 Intermediate Similarity NPC17877
0.8321 Intermediate Similarity NPC66761
0.8321 Intermediate Similarity NPC291638
0.8321 Intermediate Similarity NPC472577
0.832 Intermediate Similarity NPC470815
0.8271 Intermediate Similarity NPC472395
0.8271 Intermediate Similarity NPC472371
0.8248 Intermediate Similarity NPC474935
0.8244 Intermediate Similarity NPC474608
0.8235 Intermediate Similarity NPC471912
0.8235 Intermediate Similarity NPC38696
0.8235 Intermediate Similarity NPC80895
0.8217 Intermediate Similarity NPC147561
0.8209 Intermediate Similarity NPC472547
0.8209 Intermediate Similarity NPC43241
0.8209 Intermediate Similarity NPC473758
0.8209 Intermediate Similarity NPC211137
0.8209 Intermediate Similarity NPC473613
0.8209 Intermediate Similarity NPC183270
0.8209 Intermediate Similarity NPC48017
0.8209 Intermediate Similarity NPC184747
0.8209 Intermediate Similarity NPC473060
0.8209 Intermediate Similarity NPC476094
0.8209 Intermediate Similarity NPC473112
0.8209 Intermediate Similarity NPC4341
0.8209 Intermediate Similarity NPC200592
0.8209 Intermediate Similarity NPC147880
0.8209 Intermediate Similarity NPC473085
0.8209 Intermediate Similarity NPC473081
0.8209 Intermediate Similarity NPC473109
0.8209 Intermediate Similarity NPC477904
0.8182 Intermediate Similarity NPC473216
0.8182 Intermediate Similarity NPC473399
0.8175 Intermediate Similarity NPC301946
0.8175 Intermediate Similarity NPC277053
0.8148 Intermediate Similarity NPC16912
0.8134 Intermediate Similarity NPC475652
0.8134 Intermediate Similarity NPC210591
0.8134 Intermediate Similarity NPC214550
0.812 Intermediate Similarity NPC472551
0.812 Intermediate Similarity NPC472545
0.8106 Intermediate Similarity NPC4242
0.8106 Intermediate Similarity NPC471911
0.8088 Intermediate Similarity NPC473755
0.8088 Intermediate Similarity NPC475513
0.8088 Intermediate Similarity NPC472546
0.8074 Intermediate Similarity NPC90614
0.8074 Intermediate Similarity NPC171207
0.8074 Intermediate Similarity NPC475400
0.8074 Intermediate Similarity NPC97667
0.806 Intermediate Similarity NPC39549
0.806 Intermediate Similarity NPC283375
0.806 Intermediate Similarity NPC183122
0.8058 Intermediate Similarity NPC217918
0.8047 Intermediate Similarity NPC470818
0.803 Intermediate Similarity NPC15850
0.8029 Intermediate Similarity NPC139067
0.8029 Intermediate Similarity NPC191082
0.8029 Intermediate Similarity NPC473673
0.8029 Intermediate Similarity NPC177340
0.8029 Intermediate Similarity NPC270498
0.8029 Intermediate Similarity NPC246480
0.8029 Intermediate Similarity NPC475429
0.8029 Intermediate Similarity NPC147217
0.8015 Intermediate Similarity NPC87448
0.8015 Intermediate Similarity NPC472576
0.8015 Intermediate Similarity NPC291599
0.8015 Intermediate Similarity NPC118080
0.8015 Intermediate Similarity NPC27377
0.8015 Intermediate Similarity NPC97947
0.8015 Intermediate Similarity NPC41481
0.8015 Intermediate Similarity NPC224491
0.7984 Intermediate Similarity NPC190849
0.7984 Intermediate Similarity NPC171007
0.7971 Intermediate Similarity NPC51314
0.7971 Intermediate Similarity NPC260194
0.7971 Intermediate Similarity NPC472570
0.7971 Intermediate Similarity NPC470231
0.7971 Intermediate Similarity NPC188865
0.7971 Intermediate Similarity NPC476974
0.7971 Intermediate Similarity NPC67777
0.7971 Intermediate Similarity NPC57628
0.7971 Intermediate Similarity NPC95810
0.7971 Intermediate Similarity NPC11685
0.7971 Intermediate Similarity NPC472573
0.7971 Intermediate Similarity NPC70716
0.7971 Intermediate Similarity NPC163719
0.7971 Intermediate Similarity NPC125106
0.7971 Intermediate Similarity NPC472569
0.7971 Intermediate Similarity NPC95265
0.7971 Intermediate Similarity NPC25768
0.7943 Intermediate Similarity NPC91730
0.7941 Intermediate Similarity NPC100913
0.7941 Intermediate Similarity NPC275592
0.7926 Intermediate Similarity NPC475373
0.7914 Intermediate Similarity NPC171525
0.7914 Intermediate Similarity NPC470157
0.7914 Intermediate Similarity NPC472556
0.7914 Intermediate Similarity NPC476973
0.7914 Intermediate Similarity NPC472571
0.7914 Intermediate Similarity NPC158663
0.7914 Intermediate Similarity NPC469349
0.7914 Intermediate Similarity NPC184817
0.7914 Intermediate Similarity NPC29704
0.7914 Intermediate Similarity NPC96903
0.7914 Intermediate Similarity NPC473088
0.7914 Intermediate Similarity NPC472572
0.7914 Intermediate Similarity NPC471104
0.7914 Intermediate Similarity NPC70403
0.7914 Intermediate Similarity NPC470159
0.7914 Intermediate Similarity NPC472568
0.7914 Intermediate Similarity NPC174982
0.7914 Intermediate Similarity NPC472575
0.7914 Intermediate Similarity NPC200471
0.7914 Intermediate Similarity NPC177940
0.7903 Intermediate Similarity NPC152812
0.7899 Intermediate Similarity NPC477894
0.7899 Intermediate Similarity NPC163087
0.7891 Intermediate Similarity NPC307139
0.7887 Intermediate Similarity NPC197037
0.7883 Intermediate Similarity NPC266374
0.7872 Intermediate Similarity NPC474564
0.7857 Intermediate Similarity NPC473602
0.7842 Intermediate Similarity NPC475122
0.7842 Intermediate Similarity NPC241951
0.7842 Intermediate Similarity NPC204644
0.7842 Intermediate Similarity NPC475759
0.7842 Intermediate Similarity NPC470152
0.7842 Intermediate Similarity NPC111466
0.7826 Intermediate Similarity NPC192658
0.7826 Intermediate Similarity NPC140021
0.7826 Intermediate Similarity NPC63737
0.782 Intermediate Similarity NPC238370
0.7817 Intermediate Similarity NPC475447
0.7817 Intermediate Similarity NPC70236
0.7817 Intermediate Similarity NPC476092
0.7817 Intermediate Similarity NPC475218
0.781 Intermediate Similarity NPC162613
0.781 Intermediate Similarity NPC87934
0.781 Intermediate Similarity NPC473440
0.7801 Intermediate Similarity NPC281717
0.7801 Intermediate Similarity NPC320734
0.7786 Intermediate Similarity NPC471100
0.7786 Intermediate Similarity NPC473541
0.7786 Intermediate Similarity NPC264270

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC473439 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
0.7343 Intermediate Similarity NPD7274 Clinical (unspecified phase)
0.7287 Intermediate Similarity NPD7741 Discontinued
0.7222 Intermediate Similarity NPD7094 Approved
0.7222 Intermediate Similarity NPD6858 Approved
0.7188 Intermediate Similarity NPD4198 Discontinued
0.7152 Intermediate Similarity NPD8470 Clinical (unspecified phase)
0.7055 Intermediate Similarity NPD7236 Approved
0.7045 Intermediate Similarity NPD5125 Phase 3
0.7045 Intermediate Similarity NPD5126 Approved
0.7019 Intermediate Similarity NPD8368 Discontinued
0.7 Intermediate Similarity NPD7966 Clinical (unspecified phase)
0.6942 Remote Similarity NPD7798 Approved
0.6933 Remote Similarity NPD7239 Suspended
0.6918 Remote Similarity NPD8166 Discontinued
0.6913 Remote Similarity NPD7314 Clinical (unspecified phase)
0.6906 Remote Similarity NPD5952 Clinical (unspecified phase)
0.689 Remote Similarity NPD8407 Phase 2
0.6875 Remote Similarity NPD7799 Discontinued
0.6866 Remote Similarity NPD7457 Clinical (unspecified phase)
0.685 Remote Similarity NPD2067 Discontinued
0.6846 Remote Similarity NPD2629 Approved
0.6828 Remote Similarity NPD7266 Discontinued
0.6807 Remote Similarity NPD8434 Phase 2
0.6774 Remote Similarity NPD6647 Phase 2
0.6772 Remote Similarity NPD8127 Discontinued
0.6769 Remote Similarity NPD6010 Discontinued
0.6746 Remote Similarity NPD6685 Approved
0.6726 Remote Similarity NPD8360 Approved
0.6726 Remote Similarity NPD8361 Approved
0.6726 Remote Similarity NPD8435 Approved
0.6724 Remote Similarity NPD1282 Approved
0.6721 Remote Similarity NPD5926 Approved
0.672 Remote Similarity NPD5909 Discontinued
0.6716 Remote Similarity NPD5691 Approved
0.6707 Remote Similarity NPD8424 Clinical (unspecified phase)
0.669 Remote Similarity NPD7961 Discontinued
0.6689 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6648 Approved
0.6667 Remote Similarity NPD3412 Clinical (unspecified phase)
0.6667 Remote Similarity NPD2181 Clinical (unspecified phase)
0.6643 Remote Similarity NPD5736 Approved
0.6642 Remote Similarity NPD6637 Approved
0.6641 Remote Similarity NPD2182 Approved
0.6612 Remote Similarity NPD6049 Phase 2
0.6612 Remote Similarity NPD6048 Clinical (unspecified phase)
0.6599 Remote Similarity NPD5763 Approved
0.6599 Remote Similarity NPD5762 Approved
0.6577 Remote Similarity NPD4628 Phase 3
0.6571 Remote Similarity NPD6007 Clinical (unspecified phase)
0.6549 Remote Similarity NPD7008 Discontinued
0.6547 Remote Similarity NPD8651 Approved
0.6535 Remote Similarity NPD5048 Discontinued
0.6531 Remote Similarity NPD2438 Suspended
0.6528 Remote Similarity NPD4140 Approved
0.6519 Remote Similarity NPD7058 Phase 2
0.6519 Remote Similarity NPD7057 Phase 3
0.6512 Remote Similarity NPD6831 Clinical (unspecified phase)
0.6508 Remote Similarity NPD5765 Approved
0.6497 Remote Similarity NPD7819 Suspended
0.6494 Remote Similarity NPD8485 Approved
0.6489 Remote Similarity NPD6912 Phase 3
0.6475 Remote Similarity NPD5327 Phase 3
0.6471 Remote Similarity NPD7503 Approved
0.6466 Remote Similarity NPD5951 Approved
0.6458 Remote Similarity NPD8032 Phase 2
0.6458 Remote Similarity NPD6663 Approved
0.6454 Remote Similarity NPD6917 Clinical (unspecified phase)
0.6449 Remote Similarity NPD6287 Discontinued
0.6434 Remote Similarity NPD1358 Approved
0.6433 Remote Similarity NPD37 Approved
0.6424 Remote Similarity NPD6190 Approved
0.6423 Remote Similarity NPD1989 Approved
0.6423 Remote Similarity NPD4626 Approved
0.6415 Remote Similarity NPD4967 Phase 2
0.6415 Remote Similarity NPD4965 Approved
0.6415 Remote Similarity NPD4966 Approved
0.6414 Remote Similarity NPD4060 Phase 1
0.6412 Remote Similarity NPD4141 Clinical (unspecified phase)
0.641 Remote Similarity NPD5734 Clinical (unspecified phase)
0.64 Remote Similarity NPD2066 Phase 3
0.6395 Remote Similarity NPD7097 Phase 1
0.6393 Remote Similarity NPD5122 Clinical (unspecified phase)
0.6391 Remote Similarity NPD4869 Clinical (unspecified phase)
0.6389 Remote Similarity NPD6410 Clinical (unspecified phase)
0.6384 Remote Similarity NPD8486 Clinical (unspecified phase)
0.6383 Remote Similarity NPD3094 Phase 2
0.6378 Remote Similarity NPD5738 Clinical (unspecified phase)
0.637 Remote Similarity NPD5123 Clinical (unspecified phase)
0.637 Remote Similarity NPD5124 Phase 1
0.6364 Remote Similarity NPD7055 Discontinued
0.6357 Remote Similarity NPD5704 Approved
0.6357 Remote Similarity NPD5705 Approved
0.6357 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6357 Remote Similarity NPD5706 Approved
0.6357 Remote Similarity NPD3134 Approved
0.6353 Remote Similarity NPD8055 Clinical (unspecified phase)
0.6351 Remote Similarity NPD3748 Approved
0.6351 Remote Similarity NPD7305 Phase 1
0.635 Remote Similarity NPD5585 Approved
0.6349 Remote Similarity NPD5344 Discontinued
0.6335 Remote Similarity NPD6234 Discontinued
0.6328 Remote Similarity NPD164 Approved
0.632 Remote Similarity NPD7638 Approved
0.6319 Remote Similarity NPD7095 Approved
0.6306 Remote Similarity NPD6599 Discontinued
0.6304 Remote Similarity NPD7163 Clinical (unspecified phase)
0.6301 Remote Similarity NPD2979 Phase 3
0.6296 Remote Similarity NPD3317 Approved
0.6296 Remote Similarity NPD7157 Approved
0.6289 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6281 Remote Similarity NPD7838 Discovery
0.6281 Remote Similarity NPD3673 Approved
0.6281 Remote Similarity NPD3672 Approved
0.6273 Remote Similarity NPD7075 Discontinued
0.627 Remote Similarity NPD7640 Approved
0.627 Remote Similarity NPD1238 Approved
0.627 Remote Similarity NPD7639 Approved
0.6267 Remote Similarity NPD7702 Clinical (unspecified phase)
0.6259 Remote Similarity NPD6355 Discontinued
0.6259 Remote Similarity NPD5735 Approved
0.6259 Remote Similarity NPD3496 Discontinued
0.6258 Remote Similarity NPD6273 Approved
0.625 Remote Similarity NPD1929 Approved
0.625 Remote Similarity NPD7327 Approved
0.625 Remote Similarity NPD1931 Clinical (unspecified phase)
0.625 Remote Similarity NPD7328 Approved
0.625 Remote Similarity NPD1930 Approved
0.6242 Remote Similarity NPD7458 Discontinued
0.6241 Remote Similarity NPD969 Suspended
0.624 Remote Similarity NPD3495 Discontinued
0.6239 Remote Similarity NPD3971 Phase 1
0.6235 Remote Similarity NPD5537 Clinical (unspecified phase)
0.6232 Remote Similarity NPD8378 Approved
0.6232 Remote Similarity NPD8296 Approved
0.6232 Remote Similarity NPD8335 Approved
0.6232 Remote Similarity NPD8380 Approved
0.6232 Remote Similarity NPD8033 Approved
0.6232 Remote Similarity NPD8379 Approved
0.6228 Remote Similarity NPD5844 Phase 1
0.6221 Remote Similarity NPD8150 Discontinued
0.6214 Remote Similarity NPD3092 Approved
0.6214 Remote Similarity NPD1611 Approved
0.6212 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6212 Remote Similarity NPD5239 Approved
0.6212 Remote Similarity NPD5240 Approved
0.6212 Remote Similarity NPD5237 Approved
0.6212 Remote Similarity NPD5235 Approved
0.6212 Remote Similarity NPD5236 Approved
0.6205 Remote Similarity NPD7473 Discontinued
0.6204 Remote Similarity NPD7516 Approved
0.6204 Remote Similarity NPD6065 Approved
0.6204 Remote Similarity NPD7610 Discontinued
0.6194 Remote Similarity NPD5535 Approved
0.6194 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6194 Remote Similarity NPD7446 Clinical (unspecified phase)
0.6194 Remote Similarity NPD8389 Clinical (unspecified phase)
0.619 Remote Similarity NPD4225 Approved
0.6188 Remote Similarity NPD8455 Phase 2
0.6187 Remote Similarity NPD3095 Discontinued
0.6184 Remote Similarity NPD1652 Phase 2
0.6184 Remote Similarity NPD6674 Discontinued
0.6184 Remote Similarity NPD5698 Clinical (unspecified phase)
0.6183 Remote Similarity NPD6686 Approved
0.6181 Remote Similarity NPD7084 Phase 3
0.6168 Remote Similarity NPD7228 Approved
0.6164 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6164 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6164 Remote Similarity NPD3764 Approved
0.6159 Remote Similarity NPD8294 Approved
0.6159 Remote Similarity NPD3091 Approved
0.6159 Remote Similarity NPD8377 Approved
0.6148 Remote Similarity NPD5283 Phase 1
0.6145 Remote Similarity NPD4481 Phase 3
0.6144 Remote Similarity NPD7003 Approved
0.6144 Remote Similarity NPD7982 Clinical (unspecified phase)
0.6144 Remote Similarity NPD4110 Phase 3
0.6144 Remote Similarity NPD3750 Approved
0.6144 Remote Similarity NPD4109 Clinical (unspecified phase)
0.614 Remote Similarity NPD8313 Approved
0.614 Remote Similarity NPD8312 Approved
0.6138 Remote Similarity NPD6832 Phase 2
0.6138 Remote Similarity NPD4908 Phase 1
0.6136 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6131 Remote Similarity NPD4230 Clinical (unspecified phase)
0.6131 Remote Similarity NPD694 Clinical (unspecified phase)
0.6127 Remote Similarity NPD4359 Approved
0.6125 Remote Similarity NPD6801 Discontinued
0.6124 Remote Similarity NPD5700 Clinical (unspecified phase)
0.6122 Remote Similarity NPD7713 Phase 3
0.6121 Remote Similarity NPD6232 Discontinued
0.6119 Remote Similarity NPD1609 Clinical (unspecified phase)
0.6115 Remote Similarity NPD3025 Approved
0.6115 Remote Similarity NPD3024 Approved
0.6115 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6111 Remote Similarity NPD4868 Clinical (unspecified phase)
0.6111 Remote Similarity NPD7768 Phase 2
0.6103 Remote Similarity NPD690 Clinical (unspecified phase)
0.6101 Remote Similarity NPD4380 Phase 2
0.6099 Remote Similarity NPD1281 Approved
0.6099 Remote Similarity NPD3705 Approved

Structure

External Identifiers

PubChem CID   14192853
ChEMBL   CHEMBL432597
ZINC  

Physicochemical Properties

Molecular Weight:  708.31
ALogP:  1.5091
MLogP:  4.43
XLogP:  6.959
# Rotatable Bonds:  23
Polar Surface Area:  157.8
# H-Bond Aceptor:  12
# H-Bond Donor:  0
# Rings:  4
# Heavy Atoms:  51

Download Data

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Structure MOL file  
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Biological Activities  
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