Natural Product: NPC184109

Natural Product ID:  NPC184109
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C35H42O10
Standard InCHIKey:  ZVYBIARXHLUXGT-IVADFWPZSA-N
Standard InCHI:  InChI=1S/C35H42O10/c1-19-25(44-27(40)15-14-23-12-10-9-11-13-23)16-17-33(7)28(19)29(41-20(2)36)24-18-26(39)34(8)35(45-34,32(24,5)6)31(43-22(4)38)30(33)42-21(3)37/h9-15,24-25,28-31H,1,16-18H2,2-8H3/b15-14+/t24-,25-,28-,29+,30-,31-,33+,34+,35-/m0/s1
Canonical SMILES:  CC(=O)O[C@H]1[C@@H]2C(=C)[C@H](CC[C@@]2(C)[C@@H](OC(=O)C)[C@@H]([C@]23C([C@H]1CC(=O)[C@]2(O3)C)(C)C)OC(=O)C)OC(=O)/C=C/c1ccccc1
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 = 142 % 18183025

  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 NPC184109 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
0.927 High Similarity NPC471912
0.927 High Similarity NPC80895
0.9237 High Similarity NPC472418
0.9225 High Similarity NPC473423
0.9203 High Similarity NPC277053
0.9203 High Similarity NPC301946
0.9008 High Similarity NPC195224
0.8881 High Similarity NPC209851
0.8846 High Similarity NPC469742
0.8794 High Similarity NPC471107
0.8794 High Similarity NPC471100
0.8699 High Similarity NPC21410
0.8699 High Similarity NPC473670
0.8681 High Similarity NPC254558
0.8667 High Similarity NPC472361
0.8662 High Similarity NPC127857
0.8657 High Similarity NPC225103
0.8639 High Similarity NPC217091
0.8621 High Similarity NPC51602
0.8603 High Similarity NPC80599
0.8593 High Similarity NPC473443
0.8593 High Similarity NPC472388
0.8581 High Similarity NPC472393
0.8552 High Similarity NPC112216
0.8552 High Similarity NPC7095
0.854 High Similarity NPC472437
0.8503 High Similarity NPC219419
0.8493 Intermediate Similarity NPC471103
0.8493 Intermediate Similarity NPC306799
0.8493 Intermediate Similarity NPC101043
0.8483 Intermediate Similarity NPC60509
0.8483 Intermediate Similarity NPC250046
0.8483 Intermediate Similarity NPC81698
0.8478 Intermediate Similarity NPC471911
0.8478 Intermediate Similarity NPC4242
0.8473 Intermediate Similarity NPC473439
0.8473 Intermediate Similarity NPC300827
0.8467 Intermediate Similarity NPC472394
0.8467 Intermediate Similarity NPC475493
0.8446 Intermediate Similarity NPC114357
0.8446 Intermediate Similarity NPC155329
0.8446 Intermediate Similarity NPC259144
0.8446 Intermediate Similarity NPC282239
0.8433 Intermediate Similarity NPC473082
0.8425 Intermediate Similarity NPC161239
0.8425 Intermediate Similarity NPC165260
0.8425 Intermediate Similarity NPC198455
0.8409 Intermediate Similarity NPC473749
0.8406 Intermediate Similarity NPC15850
0.8392 Intermediate Similarity NPC477894
0.8389 Intermediate Similarity NPC106895
0.8385 Intermediate Similarity NPC89324
0.8378 Intermediate Similarity NPC472030
0.8378 Intermediate Similarity NPC134685
0.8378 Intermediate Similarity NPC265395
0.8378 Intermediate Similarity NPC229545
0.8378 Intermediate Similarity NPC473414
0.8378 Intermediate Similarity NPC257213
0.8378 Intermediate Similarity NPC248265
0.8378 Intermediate Similarity NPC242262
0.8378 Intermediate Similarity NPC77719
0.8378 Intermediate Similarity NPC256142
0.8378 Intermediate Similarity NPC472005
0.8378 Intermediate Similarity NPC1173
0.8378 Intermediate Similarity NPC249471
0.8378 Intermediate Similarity NPC304876
0.8378 Intermediate Similarity NPC237549
0.8378 Intermediate Similarity NPC472022
0.8378 Intermediate Similarity NPC158333
0.8378 Intermediate Similarity NPC11588
0.8358 Intermediate Similarity NPC473083
0.8345 Intermediate Similarity NPC475552
0.8333 Intermediate Similarity NPC470231
0.8333 Intermediate Similarity NPC471880
0.8322 Intermediate Similarity NPC114410
0.8322 Intermediate Similarity NPC112523
0.8322 Intermediate Similarity NPC182869
0.8322 Intermediate Similarity NPC63737
0.8322 Intermediate Similarity NPC228204
0.8322 Intermediate Similarity NPC26033
0.8299 Intermediate Similarity NPC91730
0.8278 Intermediate Similarity NPC471102
0.8276 Intermediate Similarity NPC471162
0.8264 Intermediate Similarity NPC82467
0.8261 Intermediate Similarity NPC476977
0.8243 Intermediate Similarity NPC329657
0.8243 Intermediate Similarity NPC197037
0.8239 Intermediate Similarity NPC472371
0.8239 Intermediate Similarity NPC472395
0.8231 Intermediate Similarity NPC473403
0.8222 Intermediate Similarity NPC471758
0.8212 Intermediate Similarity NPC469771
0.8209 Intermediate Similarity NPC12016
0.8207 Intermediate Similarity NPC473677
0.8207 Intermediate Similarity NPC475404
0.8201 Intermediate Similarity NPC476976
0.82 Intermediate Similarity NPC472549
0.8188 Intermediate Similarity NPC475671
0.8188 Intermediate Similarity NPC475452
0.8182 Intermediate Similarity NPC473440
0.8182 Intermediate Similarity NPC477904
0.8182 Intermediate Similarity NPC183270
0.8163 Intermediate Similarity NPC217918
0.8162 Intermediate Similarity NPC45821
0.8156 Intermediate Similarity NPC291638
0.8156 Intermediate Similarity NPC17877
0.8156 Intermediate Similarity NPC66761
0.8156 Intermediate Similarity NPC472577
0.8156 Intermediate Similarity NPC195647
0.8148 Intermediate Similarity NPC472373
0.8134 Intermediate Similarity NPC70973
0.8133 Intermediate Similarity NPC69425
0.8129 Intermediate Similarity NPC471493
0.8117 Intermediate Similarity NPC55744
0.8116 Intermediate Similarity NPC93632
0.8099 Intermediate Similarity NPC472372
0.8099 Intermediate Similarity NPC472374
0.8095 Intermediate Similarity NPC477095
0.8085 Intermediate Similarity NPC474608
0.8079 Intermediate Similarity NPC251139
0.8069 Intermediate Similarity NPC472546
0.8069 Intermediate Similarity NPC140021
0.8069 Intermediate Similarity NPC475135
0.8069 Intermediate Similarity NPC34012
0.8067 Intermediate Similarity NPC477905
0.8067 Intermediate Similarity NPC472548
0.806 Intermediate Similarity NPC37641
0.806 Intermediate Similarity NPC311175
0.8058 Intermediate Similarity NPC147561
0.8056 Intermediate Similarity NPC476094
0.8056 Intermediate Similarity NPC4341
0.8056 Intermediate Similarity NPC43241
0.8056 Intermediate Similarity NPC473081
0.8056 Intermediate Similarity NPC473758
0.8056 Intermediate Similarity NPC473085
0.8056 Intermediate Similarity NPC211137
0.8056 Intermediate Similarity NPC48017
0.8056 Intermediate Similarity NPC147880
0.8056 Intermediate Similarity NPC184747
0.8056 Intermediate Similarity NPC473060
0.8056 Intermediate Similarity NPC473109
0.8056 Intermediate Similarity NPC200592
0.8056 Intermediate Similarity NPC475400
0.8056 Intermediate Similarity NPC473112
0.8056 Intermediate Similarity NPC473613
0.8054 Intermediate Similarity NPC470245
0.8054 Intermediate Similarity NPC125033
0.8054 Intermediate Similarity NPC473214
0.8042 Intermediate Similarity NPC86772
0.8039 Intermediate Similarity NPC49297
0.8039 Intermediate Similarity NPC477467
0.803 Intermediate Similarity NPC84129
0.8029 Intermediate Similarity NPC470818
0.8029 Intermediate Similarity NPC473111
0.8029 Intermediate Similarity NPC473110
0.8028 Intermediate Similarity NPC477893
0.8026 Intermediate Similarity NPC11410
0.8014 Intermediate Similarity NPC477094
0.8014 Intermediate Similarity NPC477096
0.8 Intermediate Similarity NPC470153
0.8 Intermediate Similarity NPC16912
0.8 Intermediate Similarity NPC275477
0.8 Intermediate Similarity NPC213567
0.7987 Intermediate Similarity NPC476975
0.7987 Intermediate Similarity NPC473215
0.7986 Intermediate Similarity NPC214550
0.7986 Intermediate Similarity NPC272523
0.7986 Intermediate Similarity NPC210591
0.7986 Intermediate Similarity NPC475652
0.7986 Intermediate Similarity NPC325805
0.7974 Intermediate Similarity NPC477470
0.7974 Intermediate Similarity NPC181924
0.7974 Intermediate Similarity NPC477472
0.7974 Intermediate Similarity NPC477474
0.7973 Intermediate Similarity NPC474935
0.7961 Intermediate Similarity NPC473611
0.7956 Intermediate Similarity NPC114927
0.7947 Intermediate Similarity NPC138641
0.7947 Intermediate Similarity NPC22571
0.7947 Intermediate Similarity NPC283875
0.7947 Intermediate Similarity NPC469648
0.7947 Intermediate Similarity NPC469647
0.7943 Intermediate Similarity NPC469499
0.7933 Intermediate Similarity NPC25484
0.7933 Intermediate Similarity NPC232583
0.7931 Intermediate Similarity NPC475660
0.7931 Intermediate Similarity NPC97667
0.7931 Intermediate Similarity NPC90614
0.7931 Intermediate Similarity NPC171207
0.7929 Intermediate Similarity NPC122504
0.7929 Intermediate Similarity NPC3450
0.7917 Intermediate Similarity NPC283375
0.7917 Intermediate Similarity NPC183122
0.7902 Intermediate Similarity NPC265459
0.7902 Intermediate Similarity NPC290833
0.7902 Intermediate Similarity NPC475262
0.7902 Intermediate Similarity NPC477896
0.7899 Intermediate Similarity NPC476970
0.7895 Intermediate Similarity NPC152812
0.7891 Intermediate Similarity NPC95449

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC184109 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
0.7887 Intermediate Similarity NPD7966 Clinical (unspecified phase)
0.7683 Intermediate Similarity NPD8368 Discontinued
0.7667 Intermediate Similarity NPD7236 Approved
0.7654 Intermediate Similarity NPD7799 Discontinued
0.7545 Intermediate Similarity NPD8407 Phase 2
0.7532 Intermediate Similarity NPD7239 Suspended
0.7471 Intermediate Similarity NPD8435 Approved
0.7456 Intermediate Similarity NPD8424 Clinical (unspecified phase)
0.7368 Intermediate Similarity NPD8360 Approved
0.7368 Intermediate Similarity NPD8361 Approved
0.7353 Intermediate Similarity NPD8434 Phase 2
0.7329 Intermediate Similarity NPD7961 Discontinued
0.7216 Intermediate Similarity NPD8485 Approved
0.7164 Intermediate Similarity NPD2067 Discontinued
0.7132 Intermediate Similarity NPD7094 Approved
0.7132 Intermediate Similarity NPD6858 Approved
0.7101 Intermediate Similarity NPD4198 Discontinued
0.7099 Intermediate Similarity NPD7058 Phase 2
0.7099 Intermediate Similarity NPD7057 Phase 3
0.7095 Intermediate Similarity NPD8486 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD8470 Clinical (unspecified phase)
0.7032 Intermediate Similarity NPD6190 Approved
0.6978 Remote Similarity NPD3317 Approved
0.6954 Remote Similarity NPD8150 Discontinued
0.6909 Remote Similarity NPD5537 Clinical (unspecified phase)
0.6906 Remote Similarity NPD2629 Approved
0.6897 Remote Similarity NPD8055 Clinical (unspecified phase)
0.6894 Remote Similarity NPD6599 Discontinued
0.6893 Remote Similarity NPD7879 Clinical (unspecified phase)
0.6871 Remote Similarity NPD7096 Clinical (unspecified phase)
0.687 Remote Similarity NPD7798 Approved
0.6859 Remote Similarity NPD8166 Discontinued
0.6848 Remote Similarity NPD7075 Discontinued
0.6846 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6835 Remote Similarity NPD6010 Discontinued
0.6806 Remote Similarity NPD7457 Clinical (unspecified phase)
0.6768 Remote Similarity NPD7819 Suspended
0.6741 Remote Similarity NPD5048 Discontinued
0.6736 Remote Similarity NPD3412 Clinical (unspecified phase)
0.6726 Remote Similarity NPD8127 Discontinued
0.6712 Remote Similarity NPD6637 Approved
0.6707 Remote Similarity NPD6801 Discontinued
0.6667 Remote Similarity NPD7473 Discontinued
0.6646 Remote Similarity NPD4628 Phase 3
0.6645 Remote Similarity NPD7305 Phase 1
0.6628 Remote Similarity NPD3751 Discontinued
0.6627 Remote Similarity NPD3817 Phase 2
0.6625 Remote Similarity NPD6799 Approved
0.662 Remote Similarity NPD7115 Discovery
0.6619 Remote Similarity NPD2181 Clinical (unspecified phase)
0.6604 Remote Similarity NPD7274 Clinical (unspecified phase)
0.6597 Remote Similarity NPD7741 Discontinued
0.6597 Remote Similarity NPD8462 Phase 1
0.6597 Remote Similarity NPD6319 Approved
0.6594 Remote Similarity NPD2182 Approved
0.6588 Remote Similarity NPD3787 Discontinued
0.6584 Remote Similarity NPD8389 Clinical (unspecified phase)
0.6578 Remote Similarity NPD8320 Phase 1
0.6578 Remote Similarity NPD8319 Approved
0.6575 Remote Similarity NPD8328 Phase 3
0.6571 Remote Similarity NPD8297 Approved
0.6549 Remote Similarity NPD690 Clinical (unspecified phase)
0.6544 Remote Similarity NPD5909 Discontinued
0.6536 Remote Similarity NPD8032 Phase 2
0.6527 Remote Similarity NPD5402 Approved
0.6524 Remote Similarity NPD3226 Approved
0.6524 Remote Similarity NPD7458 Discontinued
0.6522 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6513 Remote Similarity NPD7008 Discontinued
0.651 Remote Similarity NPD7736 Approved
0.6497 Remote Similarity NPD8312 Approved
0.6497 Remote Similarity NPD8313 Approved
0.6491 Remote Similarity NPD6232 Discontinued
0.6486 Remote Similarity NPD8285 Discontinued
0.6477 Remote Similarity NPD6765 Approved
0.6477 Remote Similarity NPD6764 Approved
0.6471 Remote Similarity NPD6647 Phase 2
0.6471 Remote Similarity NPD5494 Approved
0.6467 Remote Similarity NPD5761 Phase 2
0.6467 Remote Similarity NPD5760 Phase 2
0.6454 Remote Similarity NPD1609 Clinical (unspecified phase)
0.6452 Remote Similarity NPD6355 Discontinued
0.6449 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6442 Remote Similarity NPD7314 Clinical (unspecified phase)
0.6438 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6436 Remote Similarity NPD7435 Discontinued
0.6434 Remote Similarity NPD5951 Approved
0.6432 Remote Similarity NPD7700 Phase 2
0.6432 Remote Similarity NPD7699 Phase 2
0.6429 Remote Similarity NPD6663 Approved
0.6429 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6424 Remote Similarity NPD6007 Clinical (unspecified phase)
0.6419 Remote Similarity NPD6287 Discontinued
0.6419 Remote Similarity NPD7492 Approved
0.6414 Remote Similarity NPD7610 Discontinued
0.6409 Remote Similarity NPD8397 Clinical (unspecified phase)
0.6407 Remote Similarity NPD37 Approved
0.6405 Remote Similarity NPD7095 Approved
0.6402 Remote Similarity NPD5403 Approved
0.64 Remote Similarity NPD5667 Approved
0.64 Remote Similarity NPD7804 Clinical (unspecified phase)
0.6392 Remote Similarity NPD2796 Approved
0.6392 Remote Similarity NPD2438 Suspended
0.6391 Remote Similarity NPD4965 Approved
0.6391 Remote Similarity NPD4967 Phase 2
0.6391 Remote Similarity NPD4966 Approved
0.6386 Remote Similarity NPD4380 Phase 2
0.6383 Remote Similarity NPD6650 Approved
0.6383 Remote Similarity NPD6649 Approved
0.6383 Remote Similarity NPD4141 Clinical (unspecified phase)
0.6382 Remote Similarity NPD5736 Approved
0.638 Remote Similarity NPD5401 Approved
0.638 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6378 Remote Similarity NPD8404 Phase 2
0.6377 Remote Similarity NPD6008 Approved
0.6376 Remote Similarity NPD6616 Approved
0.6375 Remote Similarity NPD7421 Clinical (unspecified phase)
0.637 Remote Similarity NPD6054 Approved
0.637 Remote Similarity NPD2066 Phase 3
0.6364 Remote Similarity NPD3764 Approved
0.6364 Remote Similarity NPD6798 Discontinued
0.6359 Remote Similarity NPD6534 Approved
0.6359 Remote Similarity NPD6535 Approved
0.6352 Remote Similarity NPD7702 Clinical (unspecified phase)
0.6352 Remote Similarity NPD2346 Discontinued
0.6352 Remote Similarity NPD1471 Phase 3
0.6347 Remote Similarity NPD7411 Suspended
0.634 Remote Similarity NPD7055 Discontinued
0.6333 Remote Similarity NPD7078 Approved
0.6333 Remote Similarity NPD6784 Approved
0.6333 Remote Similarity NPD6785 Approved
0.6331 Remote Similarity NPD6685 Approved
0.6323 Remote Similarity NPD6233 Phase 2
0.6321 Remote Similarity NPD7874 Approved
0.6321 Remote Similarity NPD7875 Clinical (unspecified phase)
0.6316 Remote Similarity NPD6234 Discontinued
0.6312 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6307 Remote Similarity NPD5844 Phase 1
0.6304 Remote Similarity NPD164 Approved
0.6303 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6296 Remote Similarity NPD3887 Approved
0.6294 Remote Similarity NPD4868 Clinical (unspecified phase)
0.6292 Remote Similarity NPD7685 Pre-registration
0.6289 Remote Similarity NPD6100 Approved
0.6289 Remote Similarity NPD6099 Approved
0.6286 Remote Similarity NPD6881 Approved
0.6286 Remote Similarity NPD6899 Approved
0.6284 Remote Similarity NPD5126 Approved
0.6284 Remote Similarity NPD6370 Approved
0.6284 Remote Similarity NPD5125 Phase 3
0.628 Remote Similarity NPD2532 Approved
0.628 Remote Similarity NPD2533 Approved
0.628 Remote Similarity NPD2534 Approved
0.628 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6276 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6269 Remote Similarity NPD1989 Approved
0.6268 Remote Similarity NPD8130 Phase 1
0.6266 Remote Similarity NPD7097 Phase 1
0.6264 Remote Similarity NPD7184 Clinical (unspecified phase)
0.6263 Remote Similarity NPD7698 Approved
0.6263 Remote Similarity NPD7697 Approved
0.6263 Remote Similarity NPD7696 Phase 3
0.625 Remote Similarity NPD7319 Approved
0.625 Remote Similarity NPD5762 Approved
0.625 Remote Similarity NPD5763 Approved
0.6242 Remote Similarity NPD7604 Phase 2
0.6242 Remote Similarity NPD6273 Approved
0.6241 Remote Similarity NPD6372 Approved
0.6241 Remote Similarity NPD6373 Approved
0.6241 Remote Similarity NPD5122 Clinical (unspecified phase)
0.6241 Remote Similarity NPD6831 Clinical (unspecified phase)
0.6236 Remote Similarity NPD7993 Clinical (unspecified phase)
0.6235 Remote Similarity NPD2575 Approved
0.6234 Remote Similarity NPD6832 Phase 2
0.6232 Remote Similarity NPD1930 Approved
0.6232 Remote Similarity NPD1929 Approved
0.6232 Remote Similarity NPD1931 Clinical (unspecified phase)
0.623 Remote Similarity NPD7870 Phase 2
0.623 Remote Similarity NPD7871 Phase 2
0.6229 Remote Similarity NPD6167 Clinical (unspecified phase)
0.6229 Remote Similarity NPD6168 Clinical (unspecified phase)
0.6229 Remote Similarity NPD6166 Phase 2
0.6229 Remote Similarity NPD7852 Clinical (unspecified phase)
0.6226 Remote Similarity NPD7033 Discontinued
0.6226 Remote Similarity NPD2799 Discontinued
0.6225 Remote Similarity NPD8293 Discontinued
0.6224 Remote Similarity NPD6882 Approved
0.6221 Remote Similarity NPD919 Approved
0.6218 Remote Similarity NPD7713 Phase 3
0.6216 Remote Similarity NPD3024 Approved
0.6216 Remote Similarity NPD6015 Approved
0.6216 Remote Similarity NPD6016 Approved
0.6216 Remote Similarity NPD3025 Approved
0.6214 Remote Similarity NPD5697 Approved
0.6209 Remote Similarity NPD5740 Clinical (unspecified phase)
0.6209 Remote Similarity NPD6085 Phase 2
0.62 Remote Similarity NPD4807 Approved
0.62 Remote Similarity NPD4806 Approved
0.6199 Remote Similarity NPD3882 Suspended
0.6199 Remote Similarity NPD7768 Phase 2

Structure

External Identifiers

PubChem CID   15895528
ChEMBL   CHEMBL468680
ZINC  

Physicochemical Properties

Molecular Weight:  622.28
ALogP:  0.3471
MLogP:  4.21
XLogP:  6.014
# Rotatable Bonds:  17
Polar Surface Area:  134.8
# H-Bond Aceptor:  10
# H-Bond Donor:  0
# Rings:  5
# Heavy Atoms:  45

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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