Natural Product: NPC93632

Natural Product ID:  NPC93632
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C39H48O13
Standard InCHIKey:  YQWATTVJPRZZEE-HWFKHETCSA-N
Standard InCHI:  InChI=1S/C39H48O13/c1-20-29(52-32(45)17-16-27-14-12-11-13-15-27)19-31(48-23(4)41)38(10)33(20)34(49-24(5)42)28-18-30(47-22(3)40)21(2)39(46,37(28,8)9)36(51-26(7)44)35(38)50-25(6)43/h11-17,28-29,31,33-36,46H,1,18-19H2,2-10H3/b17-16+/t28-,29-,31-,33-,34+,35-,36-,38+,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)[C@@]1(C([C@H]([C@H]2OC(=O)C)CC(=C1C)OC(=O)C)(C)C)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
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 = 3 ug/ml 10.1016/S0960-894X(97)00029-2

  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 NPC93632 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
0.959 High Similarity NPC45821
0.9508 High Similarity NPC471758
0.9426 High Similarity NPC472373
0.9344 High Similarity NPC12016
0.9339 High Similarity NPC473439
0.9339 High Similarity NPC300827
0.9262 High Similarity NPC475328
0.9091 High Similarity NPC89324
0.8992 High Similarity NPC80599
0.8968 High Similarity NPC476970
0.8952 High Similarity NPC473749
0.8898 High Similarity NPC476971
0.8898 High Similarity NPC476972
0.8846 High Similarity NPC209851
0.8843 High Similarity NPC476476
0.8837 High Similarity NPC473443
0.8837 High Similarity NPC472388
0.8828 High Similarity NPC195224
0.8828 High Similarity NPC58061
0.8819 High Similarity NPC470158
0.8819 High Similarity NPC475933
0.877 High Similarity NPC470820
0.8769 High Similarity NPC476977
0.876 High Similarity NPC225103
0.874 High Similarity NPC284022
0.8702 High Similarity NPC476976
0.8682 High Similarity NPC230331
0.8676 High Similarity NPC34012
0.8651 High Similarity NPC70973
0.8651 High Similarity NPC473889
0.8626 High Similarity NPC472418
0.8594 High Similarity NPC473083
0.8583 High Similarity NPC473871
0.8583 High Similarity NPC473870
0.8582 High Similarity NPC472372
0.8582 High Similarity NPC472374
0.8571 High Similarity NPC37641
0.8571 High Similarity NPC311175
0.8551 High Similarity NPC38696
0.8548 High Similarity NPC84129
0.8527 High Similarity NPC473110
0.8527 High Similarity NPC473111
0.8516 High Similarity NPC469742
0.845 Intermediate Similarity NPC114927
0.8429 Intermediate Similarity NPC474935
0.8417 Intermediate Similarity NPC80895
0.8417 Intermediate Similarity NPC471912
0.8394 Intermediate Similarity NPC472547
0.8385 Intermediate Similarity NPC473082
0.8372 Intermediate Similarity NPC470815
0.8357 Intermediate Similarity NPC301946
0.8357 Intermediate Similarity NPC277053
0.8333 Intermediate Similarity NPC16912
0.8333 Intermediate Similarity NPC473860
0.8321 Intermediate Similarity NPC473423
0.8309 Intermediate Similarity NPC472545
0.8309 Intermediate Similarity NPC472551
0.8306 Intermediate Similarity NPC473869
0.8273 Intermediate Similarity NPC472546
0.8261 Intermediate Similarity NPC171207
0.8261 Intermediate Similarity NPC97667
0.8248 Intermediate Similarity NPC39549
0.8239 Intermediate Similarity NPC217918
0.8227 Intermediate Similarity NPC472556
0.8209 Intermediate Similarity NPC472361
0.8201 Intermediate Similarity NPC118080
0.8201 Intermediate Similarity NPC291599
0.8201 Intermediate Similarity NPC87448
0.8201 Intermediate Similarity NPC224491
0.8201 Intermediate Similarity NPC27377
0.8201 Intermediate Similarity NPC472576
0.8201 Intermediate Similarity NPC97947
0.8201 Intermediate Similarity NPC41481
0.8194 Intermediate Similarity NPC197037
0.8156 Intermediate Similarity NPC472569
0.8156 Intermediate Similarity NPC70716
0.8156 Intermediate Similarity NPC95810
0.8156 Intermediate Similarity NPC125106
0.8156 Intermediate Similarity NPC11685
0.8156 Intermediate Similarity NPC57628
0.8156 Intermediate Similarity NPC472573
0.8156 Intermediate Similarity NPC476974
0.8156 Intermediate Similarity NPC472570
0.8156 Intermediate Similarity NPC95265
0.8156 Intermediate Similarity NPC163719
0.8156 Intermediate Similarity NPC188865
0.8156 Intermediate Similarity NPC25768
0.8156 Intermediate Similarity NPC204644
0.8148 Intermediate Similarity NPC472394
0.8143 Intermediate Similarity NPC473755
0.8143 Intermediate Similarity NPC192658
0.8143 Intermediate Similarity NPC475513
0.8129 Intermediate Similarity NPC90614
0.8129 Intermediate Similarity NPC100913
0.8129 Intermediate Similarity NPC275592
0.8125 Intermediate Similarity NPC91730
0.8125 Intermediate Similarity NPC470814
0.8116 Intermediate Similarity NPC184109
0.8112 Intermediate Similarity NPC320734
0.8099 Intermediate Similarity NPC476973
0.8099 Intermediate Similarity NPC158663
0.8099 Intermediate Similarity NPC29704
0.8099 Intermediate Similarity NPC177940
0.8099 Intermediate Similarity NPC472571
0.8099 Intermediate Similarity NPC472572
0.8099 Intermediate Similarity NPC472568
0.8099 Intermediate Similarity NPC96903
0.8099 Intermediate Similarity NPC470157
0.8099 Intermediate Similarity NPC174982
0.8099 Intermediate Similarity NPC184817
0.8099 Intermediate Similarity NPC200471
0.8099 Intermediate Similarity NPC472575
0.8099 Intermediate Similarity NPC470159
0.8099 Intermediate Similarity NPC70403
0.8099 Intermediate Similarity NPC471104
0.8099 Intermediate Similarity NPC469349
0.8099 Intermediate Similarity NPC171525
0.8099 Intermediate Similarity NPC473088
0.8088 Intermediate Similarity NPC472437
0.8088 Intermediate Similarity NPC15850
0.8085 Intermediate Similarity NPC477894
0.8082 Intermediate Similarity NPC11588
0.8082 Intermediate Similarity NPC229545
0.8082 Intermediate Similarity NPC248265
0.8082 Intermediate Similarity NPC134685
0.8069 Intermediate Similarity NPC101043
0.8069 Intermediate Similarity NPC306799
0.8056 Intermediate Similarity NPC474564
0.8045 Intermediate Similarity NPC190849
0.8045 Intermediate Similarity NPC171007
0.8042 Intermediate Similarity NPC473602
0.8028 Intermediate Similarity NPC475759
0.8028 Intermediate Similarity NPC470152
0.8028 Intermediate Similarity NPC34943
0.8028 Intermediate Similarity NPC241951
0.8028 Intermediate Similarity NPC475122
0.8027 Intermediate Similarity NPC473670
0.8027 Intermediate Similarity NPC259144
0.8027 Intermediate Similarity NPC21410
0.8027 Intermediate Similarity NPC114357
0.8027 Intermediate Similarity NPC155329
0.8015 Intermediate Similarity NPC475493
0.8015 Intermediate Similarity NPC471880
0.8014 Intermediate Similarity NPC140021
0.8014 Intermediate Similarity NPC63737
0.8 Intermediate Similarity NPC70236
0.8 Intermediate Similarity NPC475447
0.8 Intermediate Similarity NPC162613
0.8 Intermediate Similarity NPC476092
0.8 Intermediate Similarity NPC475218
0.8 Intermediate Similarity NPC87934
0.7986 Intermediate Similarity NPC281717
0.7972 Intermediate Similarity NPC127857
0.7971 Intermediate Similarity NPC291638
0.7971 Intermediate Similarity NPC472577
0.7971 Intermediate Similarity NPC195647
0.7971 Intermediate Similarity NPC66761
0.7971 Intermediate Similarity NPC17877
0.7959 Intermediate Similarity NPC219419
0.7958 Intermediate Similarity NPC91703
0.7958 Intermediate Similarity NPC163087
0.7945 Intermediate Similarity NPC470153
0.7943 Intermediate Similarity NPC470616
0.7943 Intermediate Similarity NPC470617
0.7943 Intermediate Similarity NPC266374
0.7931 Intermediate Similarity NPC476975
0.7931 Intermediate Similarity NPC471101
0.7931 Intermediate Similarity NPC92293
0.7931 Intermediate Similarity NPC270590
0.7931 Intermediate Similarity NPC301556
0.7931 Intermediate Similarity NPC266265
0.7929 Intermediate Similarity NPC9905
0.7917 Intermediate Similarity NPC20255
0.7917 Intermediate Similarity NPC240115
0.791 Intermediate Similarity NPC5486
0.7902 Intermediate Similarity NPC111466
0.7902 Intermediate Similarity NPC471139
0.7899 Intermediate Similarity NPC474608
0.7895 Intermediate Similarity NPC474532
0.7895 Intermediate Similarity NPC265413
0.7895 Intermediate Similarity NPC10154
0.7891 Intermediate Similarity NPC472548
0.7877 Intermediate Similarity NPC470245
0.7877 Intermediate Similarity NPC473214
0.7877 Intermediate Similarity NPC7095
0.7877 Intermediate Similarity NPC112216
0.7872 Intermediate Similarity NPC473085
0.7872 Intermediate Similarity NPC48017
0.7872 Intermediate Similarity NPC476094
0.7872 Intermediate Similarity NPC184747
0.7872 Intermediate Similarity NPC473440
0.7872 Intermediate Similarity NPC473758
0.7872 Intermediate Similarity NPC116742
0.7872 Intermediate Similarity NPC4341
0.7872 Intermediate Similarity NPC147880
0.7872 Intermediate Similarity NPC473613
0.7872 Intermediate Similarity NPC473060
0.7872 Intermediate Similarity NPC473109
0.7872 Intermediate Similarity NPC139243
0.7872 Intermediate Similarity NPC211137

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC93632 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
0.7655 Intermediate Similarity NPD7274 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD7741 Discontinued
0.7405 Intermediate Similarity NPD4198 Discontinued
0.7329 Intermediate Similarity NPD8470 Clinical (unspecified phase)
0.7289 Intermediate Similarity NPD8434 Phase 2
0.723 Intermediate Similarity NPD8166 Discontinued
0.7203 Intermediate Similarity NPD7966 Clinical (unspecified phase)
0.7195 Intermediate Similarity NPD8368 Discontinued
0.7143 Intermediate Similarity NPD7266 Discontinued
0.7133 Intermediate Similarity NPD7236 Approved
0.7132 Intermediate Similarity NPD5125 Phase 3
0.7132 Intermediate Similarity NPD5126 Approved
0.7114 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7068 Intermediate Similarity NPD2629 Approved
0.7066 Intermediate Similarity NPD8407 Phase 2
0.7013 Intermediate Similarity NPD7239 Suspended
0.7 Intermediate Similarity NPD8360 Approved
0.7 Intermediate Similarity NPD4628 Phase 3
0.7 Intermediate Similarity NPD8361 Approved
0.6993 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6957 Remote Similarity NPD8127 Discontinued
0.6953 Remote Similarity NPD5909 Discontinued
0.6951 Remote Similarity NPD7799 Discontinued
0.6934 Remote Similarity NPD7503 Approved
0.6913 Remote Similarity NPD5762 Approved
0.6913 Remote Similarity NPD5763 Approved
0.6901 Remote Similarity NPD6007 Clinical (unspecified phase)
0.6901 Remote Similarity NPD8435 Approved
0.6883 Remote Similarity NPD7314 Clinical (unspecified phase)
0.6882 Remote Similarity NPD8424 Clinical (unspecified phase)
0.6875 Remote Similarity NPD6647 Phase 2
0.6853 Remote Similarity NPD5736 Approved
0.6849 Remote Similarity NPD4060 Phase 1
0.6842 Remote Similarity NPD6190 Approved
0.6828 Remote Similarity NPD6410 Clinical (unspecified phase)
0.6824 Remote Similarity NPD8055 Clinical (unspecified phase)
0.6803 Remote Similarity NPD5123 Clinical (unspecified phase)
0.6803 Remote Similarity NPD5124 Phase 1
0.6791 Remote Similarity NPD6858 Approved
0.6791 Remote Similarity NPD7094 Approved
0.6783 Remote Similarity NPD6917 Clinical (unspecified phase)
0.6781 Remote Similarity NPD7961 Discontinued
0.6772 Remote Similarity NPD6648 Approved
0.6761 Remote Similarity NPD8651 Approved
0.6761 Remote Similarity NPD8485 Approved
0.6759 Remote Similarity NPD7095 Approved
0.6741 Remote Similarity NPD6010 Discontinued
0.6735 Remote Similarity NPD4140 Approved
0.673 Remote Similarity NPD37 Approved
0.6728 Remote Similarity NPD6234 Discontinued
0.6719 Remote Similarity NPD5344 Discontinued
0.6718 Remote Similarity NPD6685 Approved
0.6713 Remote Similarity NPD3094 Phase 2
0.6711 Remote Similarity NPD7097 Phase 1
0.6708 Remote Similarity NPD4965 Approved
0.6708 Remote Similarity NPD4967 Phase 2
0.6708 Remote Similarity NPD4966 Approved
0.6692 Remote Similarity NPD2067 Discontinued
0.6687 Remote Similarity NPD7819 Suspended
0.6667 Remote Similarity NPD6663 Approved
0.6667 Remote Similarity NPD7075 Discontinued
0.6648 Remote Similarity NPD8486 Clinical (unspecified phase)
0.6644 Remote Similarity NPD7008 Discontinued
0.6643 Remote Similarity NPD4626 Approved
0.6642 Remote Similarity NPD4141 Clinical (unspecified phase)
0.6641 Remote Similarity NPD5048 Discontinued
0.6618 Remote Similarity NPD4869 Clinical (unspecified phase)
0.6617 Remote Similarity NPD6831 Clinical (unspecified phase)
0.6605 Remote Similarity NPD7058 Phase 2
0.6605 Remote Similarity NPD7057 Phase 3
0.6596 Remote Similarity NPD7457 Clinical (unspecified phase)
0.6594 Remote Similarity NPD694 Clinical (unspecified phase)
0.659 Remote Similarity NPD8150 Discontinued
0.6587 Remote Similarity NPD6049 Phase 2
0.6587 Remote Similarity NPD6048 Clinical (unspecified phase)
0.6584 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6577 Remote Similarity NPD5735 Approved
0.6577 Remote Similarity NPD6355 Discontinued
0.6571 Remote Similarity NPD5691 Approved
0.6569 Remote Similarity NPD5951 Approved
0.6569 Remote Similarity NPD690 Clinical (unspecified phase)
0.6558 Remote Similarity NPD7982 Clinical (unspecified phase)
0.6557 Remote Similarity NPD1282 Approved
0.6549 Remote Similarity NPD3092 Approved
0.6548 Remote Similarity NPD7228 Approved
0.6541 Remote Similarity NPD7458 Discontinued
0.6534 Remote Similarity NPD7879 Clinical (unspecified phase)
0.6531 Remote Similarity NPD3027 Phase 3
0.6525 Remote Similarity NPD3412 Clinical (unspecified phase)
0.6522 Remote Similarity NPD7157 Approved
0.6513 Remote Similarity NPD6100 Approved
0.6513 Remote Similarity NPD6099 Approved
0.6512 Remote Similarity NPD8312 Approved
0.6512 Remote Similarity NPD8313 Approved
0.6512 Remote Similarity NPD7798 Approved
0.6509 Remote Similarity NPD5844 Phase 1
0.6503 Remote Similarity NPD4868 Clinical (unspecified phase)
0.65 Remote Similarity NPD6599 Discontinued
0.65 Remote Similarity NPD4380 Phase 2
0.6497 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6494 Remote Similarity NPD5698 Clinical (unspecified phase)
0.6494 Remote Similarity NPD6674 Discontinued
0.6494 Remote Similarity NPD1652 Phase 2
0.6489 Remote Similarity NPD5738 Clinical (unspecified phase)
0.6489 Remote Similarity NPD5765 Approved
0.6488 Remote Similarity NPD7473 Discontinued
0.6486 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6486 Remote Similarity NPD3764 Approved
0.6481 Remote Similarity NPD8455 Phase 2
0.6479 Remote Similarity NPD3496 Discontinued
0.6478 Remote Similarity NPD1653 Approved
0.6475 Remote Similarity NPD7328 Approved
0.6475 Remote Similarity NPD7327 Approved
0.6471 Remote Similarity NPD969 Suspended
0.6471 Remote Similarity NPD6912 Phase 3
0.6463 Remote Similarity NPD4908 Phase 1
0.6458 Remote Similarity NPD4749 Approved
0.6456 Remote Similarity NPD6273 Approved
0.6454 Remote Similarity NPD8380 Approved
0.6454 Remote Similarity NPD8335 Approved
0.6454 Remote Similarity NPD8033 Approved
0.6454 Remote Similarity NPD8379 Approved
0.6454 Remote Similarity NPD8378 Approved
0.6454 Remote Similarity NPD8296 Approved
0.6452 Remote Similarity NPD7003 Approved
0.6452 Remote Similarity NPD3750 Approved
0.6447 Remote Similarity NPD7305 Phase 1
0.6434 Remote Similarity NPD4225 Approved
0.6429 Remote Similarity NPD7516 Approved
0.6424 Remote Similarity NPD6653 Approved
0.642 Remote Similarity NPD8397 Clinical (unspecified phase)
0.642 Remote Similarity NPD6801 Discontinued
0.6419 Remote Similarity NPD4625 Phase 3
0.6408 Remote Similarity NPD7163 Clinical (unspecified phase)
0.6407 Remote Similarity NPD6232 Discontinued
0.6405 Remote Similarity NPD2438 Suspended
0.6403 Remote Similarity NPD7115 Discovery
0.6402 Remote Similarity NPD7768 Phase 2
0.64 Remote Similarity NPD2238 Phase 2
0.64 Remote Similarity NPD1612 Clinical (unspecified phase)
0.64 Remote Similarity NPD7838 Discovery
0.64 Remote Similarity NPD3620 Phase 2
0.64 Remote Similarity NPD1613 Approved
0.64 Remote Similarity NPD3619 Clinical (unspecified phase)
0.6395 Remote Similarity NPD2861 Phase 2
0.6393 Remote Similarity NPD5734 Clinical (unspecified phase)
0.6392 Remote Similarity NPD7446 Clinical (unspecified phase)
0.6392 Remote Similarity NPD8389 Clinical (unspecified phase)
0.6389 Remote Similarity NPD6637 Approved
0.6387 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6385 Remote Similarity NPD7639 Approved
0.6385 Remote Similarity NPD2066 Phase 3
0.6385 Remote Similarity NPD7640 Approved
0.6383 Remote Similarity NPD3091 Approved
0.6383 Remote Similarity NPD8294 Approved
0.6383 Remote Similarity NPD8377 Approved
0.6378 Remote Similarity NPD5122 Clinical (unspecified phase)
0.6376 Remote Similarity NPD7985 Registered
0.6376 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6376 Remote Similarity NPD6798 Discontinued
0.637 Remote Similarity NPD4061 Clinical (unspecified phase)
0.637 Remote Similarity NPD2797 Approved
0.6364 Remote Similarity NPD6002 Phase 3
0.6364 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6364 Remote Similarity NPD6005 Phase 3
0.6364 Remote Similarity NPD6004 Phase 3
0.6364 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6358 Remote Similarity NPD4340 Discontinued
0.6346 Remote Similarity NPD4109 Clinical (unspecified phase)
0.6346 Remote Similarity NPD4110 Phase 3
0.6345 Remote Similarity NPD5327 Phase 3
0.6341 Remote Similarity NPD5402 Approved
0.6341 Remote Similarity NPD8443 Clinical (unspecified phase)
0.634 Remote Similarity NPD7033 Discontinued
0.6335 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6335 Remote Similarity NPD3226 Approved
0.6333 Remote Similarity NPD6233 Phase 2
0.6333 Remote Similarity NPD8032 Phase 2
0.6324 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6319 Remote Similarity NPD4807 Approved
0.6319 Remote Similarity NPD4806 Approved
0.6319 Remote Similarity NPD422 Phase 1
0.6319 Remote Similarity NPD1610 Phase 2
0.6316 Remote Similarity NPD6353 Approved
0.6312 Remote Similarity NPD7610 Discontinued
0.6312 Remote Similarity NPD5403 Approved
0.6308 Remote Similarity NPD5926 Approved
0.6308 Remote Similarity NPD7638 Approved
0.6304 Remote Similarity NPD7843 Approved
0.6302 Remote Similarity NPD8404 Phase 2
0.6301 Remote Similarity NPD7240 Approved
0.6301 Remote Similarity NPD7685 Pre-registration
0.6301 Remote Similarity NPD6559 Discontinued
0.6301 Remote Similarity NPD6765 Approved
0.6301 Remote Similarity NPD6764 Approved
0.6301 Remote Similarity NPD6696 Suspended
0.6299 Remote Similarity NPD2935 Discontinued
0.6296 Remote Similarity NPD6686 Approved
0.6296 Remote Similarity NPD1358 Approved
0.6294 Remote Similarity NPD3095 Discontinued

Structure

External Identifiers

PubChem CID   5321746
ChEMBL   CHEMBL129793
ZINC  

Physicochemical Properties

Molecular Weight:  724.31
ALogP:  0.3699
MLogP:  4.32
XLogP:  5.87
# Rotatable Bonds:  24
Polar Surface Area:  178.03
# H-Bond Aceptor:  13
# H-Bond Donor:  1
# Rings:  4
# Heavy Atoms:  52

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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