Natural Product: NPC73858

Natural Product ID:  NPC73858
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C20H26O3
Standard InCHIKey:  OUHYDBUWCBLVQF-LFAQGZIKSA-N
Standard InCHI:  InChI=1S/C20H26O3/c1-12(2)13-10-19-8-5-15-18(3)6-4-7-20(15,16(19)9-14(13)21)17(23-19)22-11-18/h9-10,12,15,17H,4-8,11H2,1-3H3/t15-,17-,18+,19+,20+/m0/s1
Canonical SMILES:  CC(C1=C[C@@]23CC[C@@H]4[C@]5(C3=CC1=O)[C@H](O2)OC[C@@]4(C)CCC5)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
NPO30984 Fraxinus sieboldiana Species Oleaceae Eukaryota Stem bark Lu Mountain, Jiangxi Province, China 2004-AUG PMID[20961093]
NPO30984 Fraxinus sieboldiana Species Oleaceae Eukaryota Stems PMID[20961093]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT179 Cell Line A2780 Homo sapiens IC50 > 10000 nM 20961093
NPT180 Cell Line HCT-8 Homo sapiens IC50 > 10000 nM 20961093
NPT181 Cell Line Bel-7402 Homo sapiens IC50 > 10000 nM 20961093
NPT547 Cell Line BGC-823 Homo sapiens IC50 > 10000 nM 20961093
NPT81 Cell Line A549 Homo sapiens IC50 > 10000 nM 20961093

  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 NPC73858 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
0.8351 Intermediate Similarity NPC8954
0.8351 Intermediate Similarity NPC94905
0.835 Intermediate Similarity NPC112457
0.8265 Intermediate Similarity NPC204054
0.8265 Intermediate Similarity NPC257726
0.8211 Intermediate Similarity NPC38952
0.8172 Intermediate Similarity NPC118266
0.8137 Intermediate Similarity NPC222161
0.8125 Intermediate Similarity NPC65513
0.8105 Intermediate Similarity NPC293044
0.8081 Intermediate Similarity NPC472188
0.8061 Intermediate Similarity NPC100892
0.8061 Intermediate Similarity NPC477970
0.8037 Intermediate Similarity NPC157441
0.8021 Intermediate Similarity NPC327183
0.8021 Intermediate Similarity NPC328935
0.8 Intermediate Similarity NPC471366
0.8 Intermediate Similarity NPC473154
0.8 Intermediate Similarity NPC318917
0.8 Intermediate Similarity NPC476800
0.8 Intermediate Similarity NPC472186
0.7979 Intermediate Similarity NPC323209
0.7961 Intermediate Similarity NPC476764
0.7961 Intermediate Similarity NPC476763
0.7959 Intermediate Similarity NPC189513
0.7959 Intermediate Similarity NPC477722
0.7959 Intermediate Similarity NPC88507
0.7944 Intermediate Similarity NPC12046
0.7944 Intermediate Similarity NPC194951
0.7941 Intermediate Similarity NPC134077
0.7921 Intermediate Similarity NPC472187
0.7921 Intermediate Similarity NPC477971
0.7921 Intermediate Similarity NPC473545
0.7921 Intermediate Similarity NPC20113
0.7921 Intermediate Similarity NPC228251
0.7921 Intermediate Similarity NPC477972
0.7921 Intermediate Similarity NPC473204
0.7921 Intermediate Similarity NPC477968
0.7921 Intermediate Similarity NPC219285
0.7921 Intermediate Similarity NPC161527
0.79 Intermediate Similarity NPC76266
0.7885 Intermediate Similarity NPC476762
0.7885 Intermediate Similarity NPC476760
0.7885 Intermediate Similarity NPC476761
0.7879 Intermediate Similarity NPC471372
0.7879 Intermediate Similarity NPC135224
0.7879 Intermediate Similarity NPC471362
0.7879 Intermediate Similarity NPC477969
0.7879 Intermediate Similarity NPC472189
0.7872 Intermediate Similarity NPC472442
0.7872 Intermediate Similarity NPC300985
0.7864 Intermediate Similarity NPC471364
0.7864 Intermediate Similarity NPC254202
0.7864 Intermediate Similarity NPC471365
0.7864 Intermediate Similarity NPC120009
0.7864 Intermediate Similarity NPC132395
0.7849 Intermediate Similarity NPC469
0.7843 Intermediate Similarity NPC63249
0.78 Intermediate Similarity NPC171598
0.78 Intermediate Similarity NPC112654
0.78 Intermediate Similarity NPC311166
0.7789 Intermediate Similarity NPC173917
0.7778 Intermediate Similarity NPC304968
0.7778 Intermediate Similarity NPC128488
0.7767 Intermediate Similarity NPC471363
0.7767 Intermediate Similarity NPC238397
0.7732 Intermediate Similarity NPC470819
0.7723 Intermediate Similarity NPC38530
0.7723 Intermediate Similarity NPC187159
0.7723 Intermediate Similarity NPC84335
0.7723 Intermediate Similarity NPC170131
0.7714 Intermediate Similarity NPC218158
0.7714 Intermediate Similarity NPC172867
0.7714 Intermediate Similarity NPC127790
0.7706 Intermediate Similarity NPC264153
0.77 Intermediate Similarity NPC281134
0.7699 Intermediate Similarity NPC204731
0.7692 Intermediate Similarity NPC134270
0.7692 Intermediate Similarity NPC7644
0.7692 Intermediate Similarity NPC7613
0.7692 Intermediate Similarity NPC127933
0.7692 Intermediate Similarity NPC475889
0.7679 Intermediate Similarity NPC470914
0.7677 Intermediate Similarity NPC166346
0.7664 Intermediate Similarity NPC476759
0.766 Intermediate Similarity NPC472440
0.7653 Intermediate Similarity NPC470817
0.7653 Intermediate Similarity NPC253186
0.7653 Intermediate Similarity NPC273199
0.7642 Intermediate Similarity NPC109376
0.7642 Intermediate Similarity NPC110496
0.7636 Intermediate Similarity NPC475163
0.7634 Intermediate Similarity NPC149237
0.7619 Intermediate Similarity NPC201880
0.7619 Intermediate Similarity NPC470321
0.7619 Intermediate Similarity NPC264867
0.7619 Intermediate Similarity NPC81567
0.7619 Intermediate Similarity NPC473207
0.7615 Intermediate Similarity NPC222834
0.7604 Intermediate Similarity NPC471219
0.7593 Intermediate Similarity NPC253906
0.7593 Intermediate Similarity NPC476766
0.7576 Intermediate Similarity NPC474631
0.7576 Intermediate Similarity NPC49420
0.7573 Intermediate Similarity NPC324841
0.7573 Intermediate Similarity NPC470761
0.7573 Intermediate Similarity NPC477716
0.7573 Intermediate Similarity NPC477721
0.7573 Intermediate Similarity NPC473219
0.757 Intermediate Similarity NPC275539
0.757 Intermediate Similarity NPC189075
0.757 Intermediate Similarity NPC224660
0.757 Intermediate Similarity NPC470024
0.757 Intermediate Similarity NPC476765
0.7551 Intermediate Similarity NPC50488
0.7551 Intermediate Similarity NPC474396
0.7551 Intermediate Similarity NPC177141
0.7551 Intermediate Similarity NPC174765
0.7551 Intermediate Similarity NPC73995
0.7547 Intermediate Similarity NPC252296
0.7525 Intermediate Similarity NPC473369
0.7522 Intermediate Similarity NPC474179
0.7522 Intermediate Similarity NPC475775
0.7522 Intermediate Similarity NPC475834
0.7522 Intermediate Similarity NPC476529
0.75 Intermediate Similarity NPC475657
0.75 Intermediate Similarity NPC206618
0.75 Intermediate Similarity NPC473968
0.75 Intermediate Similarity NPC477717
0.75 Intermediate Similarity NPC189311
0.75 Intermediate Similarity NPC470923
0.75 Intermediate Similarity NPC474483
0.75 Intermediate Similarity NPC119467
0.75 Intermediate Similarity NPC475767
0.75 Intermediate Similarity NPC119001
0.75 Intermediate Similarity NPC217394
0.75 Intermediate Similarity NPC203862
0.7477 Intermediate Similarity NPC88013
0.7477 Intermediate Similarity NPC125423
0.7477 Intermediate Similarity NPC184512
0.7476 Intermediate Similarity NPC107806
0.7476 Intermediate Similarity NPC72647
0.7476 Intermediate Similarity NPC474440
0.7475 Intermediate Similarity NPC152467
0.7474 Intermediate Similarity NPC22611
0.7456 Intermediate Similarity NPC107338
0.7456 Intermediate Similarity NPC109607
0.7451 Intermediate Similarity NPC194132
0.7451 Intermediate Similarity NPC319692
0.7451 Intermediate Similarity NPC209297
0.7451 Intermediate Similarity NPC325960
0.7451 Intermediate Similarity NPC475380
0.7449 Intermediate Similarity NPC215831
0.7449 Intermediate Similarity NPC106332
0.7434 Intermediate Similarity NPC475913
0.7434 Intermediate Similarity NPC218093
0.7434 Intermediate Similarity NPC473617
0.7434 Intermediate Similarity NPC473828
0.7431 Intermediate Similarity NPC316708
0.7431 Intermediate Similarity NPC472666
0.7429 Intermediate Similarity NPC471993
0.7429 Intermediate Similarity NPC476769
0.7429 Intermediate Similarity NPC121423
0.7429 Intermediate Similarity NPC273005
0.7429 Intermediate Similarity NPC469606
0.7429 Intermediate Similarity NPC31058
0.7426 Intermediate Similarity NPC477129
0.7426 Intermediate Similarity NPC57117
0.7426 Intermediate Similarity NPC477130
0.7423 Intermediate Similarity NPC244174
0.7423 Intermediate Similarity NPC471369
0.7419 Intermediate Similarity NPC170394
0.7419 Intermediate Similarity NPC17550
0.7411 Intermediate Similarity NPC207637
0.7411 Intermediate Similarity NPC268213
0.7407 Intermediate Similarity NPC392
0.7407 Intermediate Similarity NPC177524
0.7407 Intermediate Similarity NPC48548
0.7407 Intermediate Similarity NPC61411
0.7407 Intermediate Similarity NPC325054
0.7407 Intermediate Similarity NPC219900
0.7407 Intermediate Similarity NPC217921
0.7407 Intermediate Similarity NPC38948
0.7407 Intermediate Similarity NPC128795
0.7407 Intermediate Similarity NPC311223
0.7407 Intermediate Similarity NPC135015
0.7404 Intermediate Similarity NPC476767
0.74 Intermediate Similarity NPC72845
0.74 Intermediate Similarity NPC165904
0.74 Intermediate Similarity NPC179517
0.74 Intermediate Similarity NPC472811
0.74 Intermediate Similarity NPC324157
0.7396 Intermediate Similarity NPC71626
0.7396 Intermediate Similarity NPC30486
0.7396 Intermediate Similarity NPC96055
0.7395 Intermediate Similarity NPC473593
0.7395 Intermediate Similarity NPC476966
0.7395 Intermediate Similarity NPC471407
0.7391 Intermediate Similarity NPC170084
0.7391 Intermediate Similarity NPC476204

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC73858 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
0.7407 Intermediate Similarity NPD6686 Approved
0.7347 Intermediate Similarity NPD3573 Approved
0.7315 Intermediate Similarity NPD6412 Phase 2
0.7188 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD7638 Approved
0.7143 Intermediate Similarity NPD1694 Approved
0.713 Intermediate Similarity NPD7328 Approved
0.713 Intermediate Similarity NPD7327 Approved
0.7094 Intermediate Similarity NPD8033 Approved
0.7094 Intermediate Similarity NPD7503 Approved
0.7075 Intermediate Similarity NPD7639 Approved
0.7075 Intermediate Similarity NPD7640 Approved
0.7069 Intermediate Similarity NPD7516 Approved
0.7064 Intermediate Similarity NPD6008 Approved
0.7009 Intermediate Similarity NPD8294 Approved
0.7009 Intermediate Similarity NPD8377 Approved
0.7 Intermediate Similarity NPD7507 Approved
0.6981 Remote Similarity NPD4225 Approved
0.6949 Remote Similarity NPD8335 Approved
0.6949 Remote Similarity NPD8379 Approved
0.6949 Remote Similarity NPD8296 Approved
0.6949 Remote Similarity NPD8378 Approved
0.6949 Remote Similarity NPD8380 Approved
0.6931 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6923 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6923 Remote Similarity NPD7900 Approved
0.69 Remote Similarity NPD7146 Approved
0.69 Remote Similarity NPD7521 Approved
0.69 Remote Similarity NPD6409 Approved
0.69 Remote Similarity NPD7334 Approved
0.69 Remote Similarity NPD6684 Approved
0.69 Remote Similarity NPD5330 Approved
0.6893 Remote Similarity NPD5693 Phase 1
0.6891 Remote Similarity NPD6370 Approved
0.6829 Remote Similarity NPD7319 Approved
0.6765 Remote Similarity NPD6672 Approved
0.6765 Remote Similarity NPD5737 Approved
0.6765 Remote Similarity NPD6903 Approved
0.6762 Remote Similarity NPD7748 Approved
0.6752 Remote Similarity NPD7115 Discovery
0.6748 Remote Similarity NPD7736 Approved
0.6733 Remote Similarity NPD3618 Phase 1
0.6729 Remote Similarity NPD7902 Approved
0.6723 Remote Similarity NPD6054 Approved
0.6699 Remote Similarity NPD6051 Approved
0.6698 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6696 Remote Similarity NPD6882 Approved
0.6696 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6667 Remote Similarity NPD4202 Approved
0.6667 Remote Similarity NPD6399 Phase 3
0.6667 Remote Similarity NPD6015 Approved
0.6667 Remote Similarity NPD6016 Approved
0.6667 Remote Similarity NPD3667 Approved
0.6638 Remote Similarity NPD8133 Approved
0.6612 Remote Similarity NPD5988 Approved
0.661 Remote Similarity NPD6009 Approved
0.6604 Remote Similarity NPD6001 Approved
0.6602 Remote Similarity NPD5208 Approved
0.6583 Remote Similarity NPD6059 Approved
0.6579 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6579 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6571 Remote Similarity NPD6079 Approved
0.6571 Remote Similarity NPD7515 Phase 2
0.6569 Remote Similarity NPD4519 Discontinued
0.6569 Remote Similarity NPD4623 Approved
0.6557 Remote Similarity NPD6067 Discontinued
0.6557 Remote Similarity NPD8328 Phase 3
0.6549 Remote Similarity NPD5697 Approved
0.6538 Remote Similarity NPD6904 Approved
0.6538 Remote Similarity NPD6080 Approved
0.6538 Remote Similarity NPD5328 Approved
0.6538 Remote Similarity NPD6673 Approved
0.6535 Remote Similarity NPD3133 Approved
0.6535 Remote Similarity NPD3665 Phase 1
0.6535 Remote Similarity NPD4786 Approved
0.6535 Remote Similarity NPD3668 Phase 3
0.6535 Remote Similarity NPD3666 Approved
0.6532 Remote Similarity NPD8293 Discontinued
0.6531 Remote Similarity NPD4195 Approved
0.6522 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6504 Remote Similarity NPD7492 Approved
0.65 Remote Similarity NPD4221 Approved
0.65 Remote Similarity NPD4223 Phase 3
0.6491 Remote Similarity NPD6899 Approved
0.6491 Remote Similarity NPD6011 Approved
0.6491 Remote Similarity NPD6881 Approved
0.6486 Remote Similarity NPD5211 Phase 2
0.6486 Remote Similarity NPD7632 Discontinued
0.6476 Remote Similarity NPD5207 Approved
0.6465 Remote Similarity NPD4695 Discontinued
0.646 Remote Similarity NPD7128 Approved
0.646 Remote Similarity NPD6675 Approved
0.646 Remote Similarity NPD5739 Approved
0.646 Remote Similarity NPD6402 Approved
0.6455 Remote Similarity NPD5286 Approved
0.6455 Remote Similarity NPD5285 Approved
0.6455 Remote Similarity NPD4696 Approved
0.6452 Remote Similarity NPD6616 Approved
0.6435 Remote Similarity NPD6012 Approved
0.6435 Remote Similarity NPD6014 Approved
0.6435 Remote Similarity NPD6013 Approved
0.6422 Remote Similarity NPD4755 Approved
0.6422 Remote Similarity NPD6083 Phase 2
0.6422 Remote Similarity NPD6084 Phase 2
0.6408 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6408 Remote Similarity NPD6098 Approved
0.6404 Remote Similarity NPD5701 Approved
0.64 Remote Similarity NPD7078 Approved
0.6396 Remote Similarity NPD5223 Approved
0.6393 Remote Similarity NPD8517 Approved
0.6393 Remote Similarity NPD8515 Approved
0.6393 Remote Similarity NPD8513 Phase 3
0.6393 Remote Similarity NPD8516 Approved
0.6389 Remote Similarity NPD5695 Phase 3
0.6383 Remote Similarity NPD4691 Approved
0.6381 Remote Similarity NPD4753 Phase 2
0.6379 Remote Similarity NPD7102 Approved
0.6379 Remote Similarity NPD7290 Approved
0.6379 Remote Similarity NPD6883 Approved
0.6373 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6373 Remote Similarity NPD4197 Approved
0.6372 Remote Similarity NPD5141 Approved
0.6364 Remote Similarity NPD5696 Approved
0.6364 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6356 Remote Similarity NPD4632 Approved
0.6348 Remote Similarity NPD7320 Approved
0.6339 Remote Similarity NPD5224 Approved
0.6339 Remote Similarity NPD5226 Approved
0.6339 Remote Similarity NPD5225 Approved
0.6339 Remote Similarity NPD4633 Approved
0.633 Remote Similarity NPD5222 Approved
0.633 Remote Similarity NPD5221 Approved
0.633 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6325 Remote Similarity NPD6869 Approved
0.6325 Remote Similarity NPD6617 Approved
0.6325 Remote Similarity NPD6649 Approved
0.6325 Remote Similarity NPD8130 Phase 1
0.6325 Remote Similarity NPD6650 Approved
0.6325 Remote Similarity NPD6847 Approved
0.6321 Remote Similarity NPD5692 Phase 3
0.6311 Remote Similarity NPD1696 Phase 3
0.6311 Remote Similarity NPD5329 Approved
0.6306 Remote Similarity NPD4700 Approved
0.6293 Remote Similarity NPD6372 Approved
0.6293 Remote Similarity NPD6373 Approved
0.6283 Remote Similarity NPD5174 Approved
0.6283 Remote Similarity NPD5175 Approved
0.6277 Remote Similarity NPD4137 Phase 3
0.6273 Remote Similarity NPD5173 Approved
0.6271 Remote Similarity NPD8297 Approved
0.6262 Remote Similarity NPD5694 Approved
0.6262 Remote Similarity NPD6050 Approved
0.625 Remote Similarity NPD4138 Approved
0.625 Remote Similarity NPD5205 Approved
0.625 Remote Similarity NPD4688 Approved
0.625 Remote Similarity NPD4689 Approved
0.625 Remote Similarity NPD4690 Approved
0.625 Remote Similarity NPD4693 Phase 3
0.625 Remote Similarity NPD5690 Phase 2
0.6239 Remote Similarity NPD5210 Approved
0.6239 Remote Similarity NPD4629 Approved
0.6224 Remote Similarity NPD3701 Clinical (unspecified phase)
0.622 Remote Similarity NPD6033 Approved
0.6211 Remote Similarity NPD4747 Approved
0.62 Remote Similarity NPD7645 Phase 2
0.6198 Remote Similarity NPD8295 Clinical (unspecified phase)
0.619 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6186 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6186 Remote Similarity NPD4058 Approved
0.6182 Remote Similarity NPD4697 Phase 3
0.6179 Remote Similarity NPD6319 Approved
0.6161 Remote Similarity NPD6648 Approved
0.6147 Remote Similarity NPD5282 Discontinued
0.614 Remote Similarity NPD4754 Approved
0.6139 Remote Similarity NPD7525 Registered
0.6134 Remote Similarity NPD6053 Discontinued
0.6129 Remote Similarity NPD5983 Phase 2
0.6122 Remote Similarity NPD6942 Approved
0.6122 Remote Similarity NPD7339 Approved
0.6116 Remote Similarity NPD6274 Approved
0.6111 Remote Similarity NPD5281 Approved
0.6111 Remote Similarity NPD5284 Approved
0.6106 Remote Similarity NPD5344 Discontinued
0.6102 Remote Similarity NPD4634 Approved
0.61 Remote Similarity NPD3617 Approved
0.6095 Remote Similarity NPD5279 Phase 3
0.6095 Remote Similarity NPD5280 Approved
0.6095 Remote Similarity NPD4694 Approved
0.6075 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6075 Remote Similarity NPD1695 Approved
0.6068 Remote Similarity NPD4730 Approved
0.6068 Remote Similarity NPD4729 Approved
0.6068 Remote Similarity NPD5128 Approved
0.6066 Remote Similarity NPD6317 Approved
0.605 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6036 Remote Similarity NPD7732 Phase 3
0.6034 Remote Similarity NPD4768 Approved
0.6034 Remote Similarity NPD4767 Approved
0.6032 Remote Similarity NPD7604 Phase 2
0.6032 Remote Similarity NPD7457 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   50900414
ChEMBL   CHEMBL1651060
ZINC  

Physicochemical Properties

Molecular Weight:  314.19
ALogP:  0.417
MLogP:  3.33
XLogP:  2.734
# Rotatable Bonds:  4
Polar Surface Area:  35.53
# H-Bond Aceptor:  3
# H-Bond Donor:  0
# Rings:  5
# Heavy Atoms:  23

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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