Natural Product: NPC247220

Natural Product ID:  NPC247220
Common Name:   Laxiracemosin H
IUPAC Name:   3-[(5R,9R,10R,13S,14S,17R)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]pyrrole-2,5-dione
Synonyms:   Laxiracemosin H
Molecular Formula:   C26H35NO3
Standard InCHIKey:  MBOKEBRRTSUMOO-CVRFEKSNSA-N
Standard InCHI:  InChI=1S/C26H35NO3/c1-23(2)19-7-6-18-17(24(19,3)11-10-20(23)28)9-13-25(4)16(8-12-26(18,25)5)15-14-21(29)27-22(15)30/h6,14,16-17,19H,7-13H2,1-5H3,(H,27,29,30)/t16-,17-,19-,24+,25-,26+/m0/s1
Canonical SMILES:  OC1=NC(=O)C(=C1)[C@@H]1CC[C@]2([C@@]1(C)CC[C@H]1C2=CC[C@@H]2[C@]1(C)CCC(=O)C2(C)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
NPO11885 Dysoxylum lenticellatum Species Meliaceae Eukaryota twigs and leaves Yunnan Province, China 2008-OCT PMID[21954912]
NPO11885 Dysoxylum lenticellatum Species Meliaceae Eukaryota Twigs PMID[21954912]
NPO11885 Dysoxylum lenticellatum Species Meliaceae Eukaryota Leaves PMID[21954912]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT177 Tissue Aorta Rattus norvegicus Activity = 18.3 % 21954912

  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 NPC247220 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
0.8627 High Similarity NPC328052
0.8119 Intermediate Similarity NPC152718
0.8058 Intermediate Similarity NPC230677
0.7961 Intermediate Similarity NPC469958
0.7941 Intermediate Similarity NPC226509
0.7742 Intermediate Similarity NPC472239
0.7732 Intermediate Similarity NPC249312
0.7553 Intermediate Similarity NPC142253
0.7553 Intermediate Similarity NPC472867
0.7553 Intermediate Similarity NPC3511
0.7528 Intermediate Similarity NPC474228
0.7528 Intermediate Similarity NPC303613
0.75 Intermediate Similarity NPC175585
0.7476 Intermediate Similarity NPC140685
0.7396 Intermediate Similarity NPC87552
0.7396 Intermediate Similarity NPC178025
0.7396 Intermediate Similarity NPC16287
0.7396 Intermediate Similarity NPC181743
0.7391 Intermediate Similarity NPC91665
0.7333 Intermediate Similarity NPC251705
0.732 Intermediate Similarity NPC8571
0.732 Intermediate Similarity NPC60350
0.7303 Intermediate Similarity NPC282593
0.7303 Intermediate Similarity NPC307176
0.7303 Intermediate Similarity NPC35734
0.7303 Intermediate Similarity NPC265782
0.7303 Intermediate Similarity NPC159577
0.7303 Intermediate Similarity NPC251929
0.7303 Intermediate Similarity NPC2634
0.7292 Intermediate Similarity NPC41539
0.7283 Intermediate Similarity NPC69408
0.7253 Intermediate Similarity NPC255021
0.7253 Intermediate Similarity NPC309852
0.7222 Intermediate Similarity NPC234707
0.7222 Intermediate Similarity NPC54123
0.7222 Intermediate Similarity NPC115023
0.7222 Intermediate Similarity NPC305501
0.7212 Intermediate Similarity NPC184033
0.7191 Intermediate Similarity NPC139397
0.7188 Intermediate Similarity NPC469804
0.7188 Intermediate Similarity NPC469805
0.7174 Intermediate Similarity NPC293803
0.7172 Intermediate Similarity NPC476293
0.7143 Intermediate Similarity NPC470044
0.7143 Intermediate Similarity NPC470045
0.7143 Intermediate Similarity NPC472940
0.7143 Intermediate Similarity NPC472931
0.7113 Intermediate Similarity NPC279639
0.7113 Intermediate Similarity NPC3856
0.7111 Intermediate Similarity NPC260040
0.7103 Intermediate Similarity NPC469598
0.7083 Intermediate Similarity NPC4166
0.7079 Intermediate Similarity NPC20610
0.7048 Intermediate Similarity NPC167419
0.7037 Intermediate Similarity NPC474563
0.703 Intermediate Similarity NPC473999
0.703 Intermediate Similarity NPC309603
0.703 Intermediate Similarity NPC262043
0.701 Intermediate Similarity NPC469799
0.701 Intermediate Similarity NPC311092
0.701 Intermediate Similarity NPC320514
0.701 Intermediate Similarity NPC469806
0.7 Intermediate Similarity NPC136948
0.7 Intermediate Similarity NPC182815
0.699 Remote Similarity NPC474736
0.6989 Remote Similarity NPC476346
0.6989 Remote Similarity NPC255650
0.6979 Remote Similarity NPC469798
0.6979 Remote Similarity NPC469797
0.6979 Remote Similarity NPC474509
0.6972 Remote Similarity NPC119329
0.697 Remote Similarity NPC471224
0.697 Remote Similarity NPC311769
0.697 Remote Similarity NPC29447
0.697 Remote Similarity NPC182106
0.6961 Remote Similarity NPC48010
0.6957 Remote Similarity NPC109576
0.6957 Remote Similarity NPC180015
0.6957 Remote Similarity NPC130016
0.6957 Remote Similarity NPC56747
0.6947 Remote Similarity NPC470052
0.6947 Remote Similarity NPC82635
0.6939 Remote Similarity NPC21667
0.69 Remote Similarity NPC166458
0.6893 Remote Similarity NPC475806
0.6893 Remote Similarity NPC23217
0.6893 Remote Similarity NPC473998
0.6882 Remote Similarity NPC329866
0.6882 Remote Similarity NPC474796
0.6882 Remote Similarity NPC474797
0.6875 Remote Similarity NPC170793
0.6875 Remote Similarity NPC90965
0.6869 Remote Similarity NPC164577
0.6869 Remote Similarity NPC214043
0.6869 Remote Similarity NPC85774
0.6852 Remote Similarity NPC77703
0.6848 Remote Similarity NPC470078
0.6848 Remote Similarity NPC21944
0.6848 Remote Similarity NPC133253
0.6837 Remote Similarity NPC193347
0.6837 Remote Similarity NPC477581
0.6837 Remote Similarity NPC477583
0.6832 Remote Similarity NPC93778
0.6814 Remote Similarity NPC476290
0.6809 Remote Similarity NPC469803
0.6809 Remote Similarity NPC473171
0.6804 Remote Similarity NPC472478
0.68 Remote Similarity NPC474083
0.68 Remote Similarity NPC152684
0.68 Remote Similarity NPC469948
0.6786 Remote Similarity NPC140251
0.6786 Remote Similarity NPC307903
0.6778 Remote Similarity NPC176107
0.6768 Remote Similarity NPC477584
0.6768 Remote Similarity NPC97913
0.6765 Remote Similarity NPC259252
0.6765 Remote Similarity NPC117122
0.6762 Remote Similarity NPC8993
0.6762 Remote Similarity NPC476754
0.6748 Remote Similarity NPC471586
0.6739 Remote Similarity NPC40574
0.6739 Remote Similarity NPC477856
0.6739 Remote Similarity NPC214770
0.6735 Remote Similarity NPC477582
0.6735 Remote Similarity NPC477372
0.6735 Remote Similarity NPC147066
0.6733 Remote Similarity NPC472869
0.6733 Remote Similarity NPC474732
0.6733 Remote Similarity NPC31564
0.6733 Remote Similarity NPC469994
0.6733 Remote Similarity NPC186975
0.6733 Remote Similarity NPC474778
0.6733 Remote Similarity NPC145879
0.6733 Remote Similarity NPC474733
0.6731 Remote Similarity NPC204341
0.6729 Remote Similarity NPC476253
0.6703 Remote Similarity NPC260474
0.6703 Remote Similarity NPC188292
0.6701 Remote Similarity NPC190211
0.6701 Remote Similarity NPC215843
0.67 Remote Similarity NPC476412
0.67 Remote Similarity NPC237712
0.67 Remote Similarity NPC19849
0.67 Remote Similarity NPC473246
0.67 Remote Similarity NPC144258
0.67 Remote Similarity NPC472864
0.67 Remote Similarity NPC472865
0.6699 Remote Similarity NPC2983
0.6698 Remote Similarity NPC271195
0.6698 Remote Similarity NPC476174
0.6697 Remote Similarity NPC474001
0.6696 Remote Similarity NPC169375
0.6696 Remote Similarity NPC476269
0.6667 Remote Similarity NPC472930
0.6667 Remote Similarity NPC323005
0.6667 Remote Similarity NPC58063
0.6667 Remote Similarity NPC92327
0.6667 Remote Similarity NPC103051
0.6667 Remote Similarity NPC5701
0.6667 Remote Similarity NPC190035
0.6667 Remote Similarity NPC223187
0.6667 Remote Similarity NPC470557
0.6667 Remote Similarity NPC475740
0.6667 Remote Similarity NPC109305
0.6667 Remote Similarity NPC236618
0.6667 Remote Similarity NPC69454
0.6636 Remote Similarity NPC29152
0.6636 Remote Similarity NPC472941
0.6636 Remote Similarity NPC456
0.6635 Remote Similarity NPC126993
0.6634 Remote Similarity NPC476426
0.6634 Remote Similarity NPC11711
0.6633 Remote Similarity NPC250632
0.663 Remote Similarity NPC256846
0.663 Remote Similarity NPC477857
0.6629 Remote Similarity NPC212210
0.6607 Remote Similarity NPC476328
0.6606 Remote Similarity NPC477964
0.6604 Remote Similarity NPC477290
0.6602 Remote Similarity NPC472870
0.66 Remote Similarity NPC470047
0.66 Remote Similarity NPC474790
0.66 Remote Similarity NPC474976
0.66 Remote Similarity NPC168188
0.66 Remote Similarity NPC470046
0.66 Remote Similarity NPC470015
0.6598 Remote Similarity NPC228911
0.6598 Remote Similarity NPC469996
0.6598 Remote Similarity NPC275494
0.6598 Remote Similarity NPC105197
0.6598 Remote Similarity NPC471409
0.6574 Remote Similarity NPC156546
0.6571 Remote Similarity NPC63748
0.6571 Remote Similarity NPC233116
0.6571 Remote Similarity NPC272746
0.6571 Remote Similarity NPC473986
0.6571 Remote Similarity NPC474018
0.6569 Remote Similarity NPC470050
0.6569 Remote Similarity NPC472479
0.6569 Remote Similarity NPC222613

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC247220 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
0.7778 Intermediate Similarity NPD5769 Clinical (unspecified phase)
0.7404 Intermediate Similarity NPD6404 Discontinued
0.7303 Intermediate Similarity NPD4747 Approved
0.7303 Intermediate Similarity NPD4691 Approved
0.7191 Intermediate Similarity NPD4137 Phase 3
0.7065 Intermediate Similarity NPD4058 Approved
0.7065 Intermediate Similarity NPD5733 Approved
0.6882 Remote Similarity NPD4687 Approved
0.6848 Remote Similarity NPD5276 Approved
0.6837 Remote Similarity NPD4223 Phase 3
0.6837 Remote Similarity NPD4221 Approved
0.68 Remote Similarity NPD5329 Approved
0.6768 Remote Similarity NPD3527 Clinical (unspecified phase)
0.6703 Remote Similarity NPD3621 Clinical (unspecified phase)
0.67 Remote Similarity NPD4197 Approved
0.6571 Remote Similarity NPD6079 Approved
0.6569 Remote Similarity NPD4138 Approved
0.6569 Remote Similarity NPD4689 Approved
0.6569 Remote Similarity NPD4690 Approved
0.6569 Remote Similarity NPD5205 Approved
0.6569 Remote Similarity NPD4693 Phase 3
0.6569 Remote Similarity NPD4623 Approved
0.6569 Remote Similarity NPD4519 Discontinued
0.6569 Remote Similarity NPD5690 Phase 2
0.6569 Remote Similarity NPD4688 Approved
0.6566 Remote Similarity NPD8028 Phase 2
0.6538 Remote Similarity NPD5328 Approved
0.6535 Remote Similarity NPD3133 Approved
0.6535 Remote Similarity NPD4786 Approved
0.6535 Remote Similarity NPD3665 Phase 1
0.6535 Remote Similarity NPD3666 Approved
0.6518 Remote Similarity NPD7812 Clinical (unspecified phase)
0.648 Remote Similarity NPD6330 Clinical (unspecified phase)
0.6476 Remote Similarity NPD4096 Approved
0.6429 Remote Similarity NPD3617 Approved
0.6408 Remote Similarity NPD5280 Approved
0.6408 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6408 Remote Similarity NPD4694 Approved
0.6408 Remote Similarity NPD3618 Phase 1
0.6383 Remote Similarity NPD6938 Clinical (unspecified phase)
0.6383 Remote Similarity NPD6939 Phase 2
0.6381 Remote Similarity NPD4753 Phase 2
0.6364 Remote Similarity NPD4195 Approved
0.6337 Remote Similarity NPD3667 Approved
0.6316 Remote Similarity NPD7333 Discontinued
0.63 Remote Similarity NPD4695 Discontinued
0.6296 Remote Similarity NPD5771 Approved
0.6286 Remote Similarity NPD6672 Approved
0.6286 Remote Similarity NPD6903 Approved
0.6286 Remote Similarity NPD5737 Approved
0.625 Remote Similarity NPD5279 Phase 3
0.625 Remote Similarity NPD6409 Approved
0.625 Remote Similarity NPD5330 Approved
0.625 Remote Similarity NPD7521 Approved
0.625 Remote Similarity NPD6684 Approved
0.625 Remote Similarity NPD7334 Approved
0.625 Remote Similarity NPD7146 Approved
0.6239 Remote Similarity NPD5210 Approved
0.6239 Remote Similarity NPD4629 Approved
0.6226 Remote Similarity NPD6904 Approved
0.6226 Remote Similarity NPD6673 Approved
0.6226 Remote Similarity NPD6080 Approved
0.6204 Remote Similarity NPD4202 Approved
0.6195 Remote Similarity NPD5211 Phase 2
0.6182 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6182 Remote Similarity NPD5221 Approved
0.6182 Remote Similarity NPD5222 Approved
0.6132 Remote Similarity NPD5208 Approved
0.6132 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6126 Remote Similarity NPD5173 Approved
0.6126 Remote Similarity NPD6084 Phase 2
0.6126 Remote Similarity NPD6083 Phase 2
0.6124 Remote Similarity NPD6914 Discontinued
0.6117 Remote Similarity NPD4788 Approved
0.6111 Remote Similarity NPD5281 Approved
0.6111 Remote Similarity NPD5693 Phase 1
0.6111 Remote Similarity NPD5284 Approved
0.6095 Remote Similarity NPD6098 Approved
0.6091 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6087 Remote Similarity NPD5141 Approved
0.6058 Remote Similarity NPD3668 Phase 3
0.6055 Remote Similarity NPD6399 Phase 3
0.6045 Remote Similarity NPD6334 Approved
0.6045 Remote Similarity NPD6333 Approved
0.6036 Remote Similarity NPD7614 Phase 1
0.6036 Remote Similarity NPD4697 Phase 3
0.6019 Remote Similarity NPD5207 Approved
0.6018 Remote Similarity NPD4696 Approved
0.6018 Remote Similarity NPD5285 Approved
0.6018 Remote Similarity NPD5286 Approved
0.6 Remote Similarity NPD6001 Approved
0.5982 Remote Similarity NPD4755 Approved
0.5981 Remote Similarity NPD4722 Approved
0.5981 Remote Similarity NPD4723 Approved
0.5966 Remote Similarity NPD6420 Discontinued
0.5965 Remote Similarity NPD5223 Approved
0.5963 Remote Similarity NPD6050 Approved
0.5946 Remote Similarity NPD5695 Phase 3
0.5929 Remote Similarity NPD5696 Approved
0.5922 Remote Similarity NPD4139 Approved
0.5922 Remote Similarity NPD4692 Approved
0.5913 Remote Similarity NPD5226 Approved
0.5913 Remote Similarity NPD5224 Approved
0.5913 Remote Similarity NPD4633 Approved
0.5913 Remote Similarity NPD5091 Approved
0.5913 Remote Similarity NPD5225 Approved
0.5909 Remote Similarity NPD5133 Approved
0.5877 Remote Similarity NPD4700 Approved
0.5872 Remote Similarity NPD5692 Phase 3
0.5865 Remote Similarity NPD4752 Clinical (unspecified phase)
0.5862 Remote Similarity NPD5174 Approved
0.5862 Remote Similarity NPD5175 Approved
0.5856 Remote Similarity NPD5707 Approved
0.5833 Remote Similarity NPD4518 Approved
0.5818 Remote Similarity NPD7515 Phase 2
0.5818 Remote Similarity NPD5694 Approved
0.5816 Remote Similarity NPD4243 Approved
0.5806 Remote Similarity NPD7115 Discovery
0.5798 Remote Similarity NPD7320 Approved
0.5798 Remote Similarity NPD6881 Approved
0.5798 Remote Similarity NPD6899 Approved
0.5784 Remote Similarity NPD5784 Clinical (unspecified phase)
0.578 Remote Similarity NPD7285 Clinical (unspecified phase)
0.5763 Remote Similarity NPD5739 Approved
0.5763 Remote Similarity NPD7128 Approved
0.5763 Remote Similarity NPD6402 Approved
0.5763 Remote Similarity NPD6675 Approved
0.5752 Remote Similarity NPD7732 Phase 3
0.5741 Remote Similarity NPD3573 Approved
0.5739 Remote Similarity NPD7639 Approved
0.5739 Remote Similarity NPD7640 Approved
0.5726 Remote Similarity NPD4754 Approved
0.5726 Remote Similarity NPD6052 Approved
0.5714 Remote Similarity NPD7748 Approved
0.5714 Remote Similarity NPD5697 Approved
0.5714 Remote Similarity NPD287 Approved
0.5702 Remote Similarity NPD6883 Approved
0.5702 Remote Similarity NPD7290 Approved
0.5702 Remote Similarity NPD7102 Approved
0.57 Remote Similarity NPD4785 Approved
0.57 Remote Similarity NPD4784 Approved
0.5667 Remote Similarity NPD6011 Approved
0.5667 Remote Similarity NPD4730 Approved
0.5667 Remote Similarity NPD4729 Approved
0.5667 Remote Similarity NPD5128 Approved
0.5667 Remote Similarity NPD5168 Approved
0.5656 Remote Similarity NPD6869 Approved
0.5656 Remote Similarity NPD6617 Approved
0.5656 Remote Similarity NPD6649 Approved
0.5656 Remote Similarity NPD8130 Phase 1
0.5656 Remote Similarity NPD6847 Approved
0.5656 Remote Similarity NPD6650 Approved
0.5652 Remote Similarity NPD7638 Approved
0.5644 Remote Similarity NPD6942 Approved
0.5644 Remote Similarity NPD7339 Approved
0.563 Remote Similarity NPD4768 Approved
0.563 Remote Similarity NPD4767 Approved
0.5625 Remote Similarity NPD6908 Approved
0.5625 Remote Similarity NPD6909 Approved
0.562 Remote Similarity NPD6014 Approved
0.562 Remote Similarity NPD6372 Approved
0.562 Remote Similarity NPD6012 Approved
0.562 Remote Similarity NPD6013 Approved
0.562 Remote Similarity NPD6373 Approved
0.561 Remote Similarity NPD8297 Approved
0.561 Remote Similarity NPD6882 Approved

Structure

External Identifiers

PubChem CID   46918651
ChEMBL   CHEMBL1835389
ZINC  

Physicochemical Properties

Molecular Weight:  409.26
ALogP:  1.4563
MLogP:  3.88
XLogP:  5.917
# Rotatable Bonds:  7
Polar Surface Area:  66.73
# H-Bond Aceptor:  4
# H-Bond Donor:  1
# Rings:  5
# Heavy Atoms:  30

Download Data

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