Natural Product: NPC162812

Natural Product ID:  NPC162812
Common Name:   Decaturin B
IUPAC Name:  
Synonyms:  
Molecular Formula:   C30H35NO6
Standard InCHIKey:  TWFKYYSBMIGIGV-SCBNGLQJSA-N
Standard InCHI:  InChI=1S/C30H35NO6/c1-17-7-8-22-27(4,10-9-21-26(2,3)29(34)12-11-28(21,22)16-35-29)30(17)24(32)23-20(37-30)14-19(36-25(23)33)18-6-5-13-31-15-18/h5-7,13-15,21-22,24,32,34H,8-12,16H2,1-4H3/t21-,22-,24-,27+,28+,29-,30+/m0/s1
Canonical SMILES:  CC1=CC[C@H]2[C@@]([C@]31Oc1c([C@@H]3O)c(=O)oc(c1)c1cccnc1)(C)CC[C@@H]1[C@@]32CC[C@](OC3)(C1(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
NPO9566 Abies canadensis Species Pinaceae Eukaryota UNPD*
NPO302 Penicillium thiersii Species Aspergillaceae Eukaryota UNPD*
NPO302 Penicillium thiersii Species Aspergillaceae Eukaryota PMID[15787428]
NPO3117 Aconitum legendrei Species Ranunculaceae Eukaryota UNPD*
NPO10990 Myristica surinamensis Species Myristicaceae Eukaryota UNPD*
NPO15125.2 Taxus wallichiana var. wallichiana Varieties Taxaceae Eukaryota UNPD*
NPO8763 Erythrina herbacea Species Fabaceae Eukaryota UNPD*
NPO11104 Diadema antillarum Species Diadematidae Eukaryota UNPD*
NPO6764 Dianthus japonicus Species Caryophyllaceae Eukaryota UNPD*
NPO2010 Viburnum ichangense Species Adoxaceae Eukaryota UNPD*
NPO9915 Pieris brassicae Species Pieridae Eukaryota UNPD*
NPO2803 Lyonetia clerkella Species Lyonetiidae Eukaryota UNPD*
NPO9135 Ligularia fauriei Species Asteraceae Eukaryota UNPD*
NPO10069 Chaptalia nutans Species Asteraceae Eukaryota UNPD*
NPO8958 Centella erecta Species Apiaceae Eukaryota UNPD*
NPO16983 Persea obovatifolia Species Lauraceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1192 Organism Spodoptera frugiperda Spodoptera frugiperda Activity = 89 % 15787428

  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 NPC162812 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
0.9742 High Similarity NPC30570
0.9689 High Similarity NPC292517
0.9531 High Similarity NPC475835
0.8889 High Similarity NPC477902
0.8804 High Similarity NPC124029
0.8768 High Similarity NPC477906
0.8738 High Similarity NPC216428
0.8725 High Similarity NPC264674
0.8714 High Similarity NPC211920
0.8711 High Similarity NPC103230
0.8696 High Similarity NPC477901
0.8689 High Similarity NPC62367
0.8683 High Similarity NPC477909
0.8683 High Similarity NPC477910
0.8683 High Similarity NPC477907
0.8683 High Similarity NPC42678
0.8663 High Similarity NPC304179
0.8663 High Similarity NPC472550
0.8663 High Similarity NPC48042
0.8654 High Similarity NPC477912
0.8627 High Similarity NPC472553
0.8614 High Similarity NPC63041
0.8612 High Similarity NPC235364
0.8578 High Similarity NPC148860
0.8565 High Similarity NPC477903
0.8558 High Similarity NPC472555
0.8551 High Similarity NPC206343
0.8551 High Similarity NPC477908
0.8531 High Similarity NPC26881
0.8531 High Similarity NPC477899
0.8531 High Similarity NPC477900
0.8524 High Similarity NPC477911
0.8483 Intermediate Similarity NPC471980
0.8469 Intermediate Similarity NPC84815
0.8469 Intermediate Similarity NPC301368
0.8462 Intermediate Similarity NPC471016
0.8462 Intermediate Similarity NPC471014
0.8462 Intermediate Similarity NPC475408
0.8454 Intermediate Similarity NPC319128
0.8454 Intermediate Similarity NPC228331
0.8436 Intermediate Similarity NPC127026
0.8436 Intermediate Similarity NPC127720
0.8421 Intermediate Similarity NPC294579
0.8421 Intermediate Similarity NPC144779
0.8419 Intermediate Similarity NPC96801
0.8419 Intermediate Similarity NPC150698
0.8413 Intermediate Similarity NPC470306
0.8373 Intermediate Similarity NPC6981
0.8372 Intermediate Similarity NPC91125
0.8364 Intermediate Similarity NPC475601
0.8295 Intermediate Similarity NPC469748
0.8278 Intermediate Similarity NPC4421
0.8271 Intermediate Similarity NPC328154
0.8271 Intermediate Similarity NPC475137
0.8271 Intermediate Similarity NPC473850
0.8271 Intermediate Similarity NPC475498
0.8246 Intermediate Similarity NPC212768
0.8246 Intermediate Similarity NPC473089
0.8246 Intermediate Similarity NPC75600
0.8246 Intermediate Similarity NPC6576
0.8246 Intermediate Similarity NPC158020
0.8246 Intermediate Similarity NPC473115
0.8241 Intermediate Similarity NPC471977
0.8241 Intermediate Similarity NPC471190
0.8241 Intermediate Similarity NPC470486
0.8241 Intermediate Similarity NPC475644
0.8224 Intermediate Similarity NPC76565
0.8224 Intermediate Similarity NPC250807
0.8224 Intermediate Similarity NPC57797
0.8213 Intermediate Similarity NPC472752
0.8211 Intermediate Similarity NPC30456
0.8194 Intermediate Similarity NPC475631
0.8194 Intermediate Similarity NPC328186
0.8194 Intermediate Similarity NPC122968
0.8194 Intermediate Similarity NPC475600
0.8194 Intermediate Similarity NPC476110
0.8194 Intermediate Similarity NPC477787
0.8194 Intermediate Similarity NPC228377
0.8194 Intermediate Similarity NPC87152
0.8165 Intermediate Similarity NPC475303
0.8165 Intermediate Similarity NPC316841
0.8165 Intermediate Similarity NPC475596
0.8157 Intermediate Similarity NPC475362
0.8148 Intermediate Similarity NPC473506
0.8136 Intermediate Similarity NPC170751
0.8136 Intermediate Similarity NPC35208
0.8136 Intermediate Similarity NPC475426
0.8136 Intermediate Similarity NPC327769
0.8111 Intermediate Similarity NPC146824
0.8107 Intermediate Similarity NPC289086
0.8095 Intermediate Similarity NPC476467
0.8091 Intermediate Similarity NPC237702
0.8091 Intermediate Similarity NPC238278
0.8082 Intermediate Similarity NPC473689
0.8082 Intermediate Similarity NPC292416
0.8072 Intermediate Similarity NPC253482
0.8054 Intermediate Similarity NPC475406
0.8045 Intermediate Similarity NPC244839
0.8045 Intermediate Similarity NPC320324
0.8045 Intermediate Similarity NPC319880
0.8044 Intermediate Similarity NPC475648
0.8018 Intermediate Similarity NPC38959
0.8018 Intermediate Similarity NPC327904
0.8018 Intermediate Similarity NPC233727
0.8009 Intermediate Similarity NPC477788
0.7945 Intermediate Similarity NPC285411
0.7945 Intermediate Similarity NPC14116
0.793 Intermediate Similarity NPC476090
0.7909 Intermediate Similarity NPC311196
0.7909 Intermediate Similarity NPC134384
0.7883 Intermediate Similarity NPC213143
0.7851 Intermediate Similarity NPC471013
0.7851 Intermediate Similarity NPC180668
0.7851 Intermediate Similarity NPC148896
0.784 Intermediate Similarity NPC280473
0.784 Intermediate Similarity NPC323551
0.7826 Intermediate Similarity NPC470279
0.7814 Intermediate Similarity NPC193361
0.7814 Intermediate Similarity NPC62844
0.781 Intermediate Similarity NPC309498
0.7804 Intermediate Similarity NPC41724
0.7804 Intermediate Similarity NPC51008
0.7778 Intermediate Similarity NPC160127
0.7778 Intermediate Similarity NPC50997
0.7768 Intermediate Similarity NPC471015
0.7757 Intermediate Similarity NPC111732
0.7742 Intermediate Similarity NPC187494
0.7729 Intermediate Similarity NPC324245
0.7729 Intermediate Similarity NPC320748
0.7723 Intermediate Similarity NPC325775
0.7723 Intermediate Similarity NPC328798
0.7716 Intermediate Similarity NPC476516
0.7716 Intermediate Similarity NPC10904
0.7703 Intermediate Similarity NPC328559
0.7703 Intermediate Similarity NPC32451
0.7681 Intermediate Similarity NPC329024
0.7662 Intermediate Similarity NPC475533
0.7656 Intermediate Similarity NPC79223
0.7639 Intermediate Similarity NPC165837
0.7636 Intermediate Similarity NPC253314
0.7629 Intermediate Similarity NPC475315
0.7629 Intermediate Similarity NPC324619
0.7628 Intermediate Similarity NPC470189
0.7628 Intermediate Similarity NPC40919
0.7615 Intermediate Similarity NPC471978
0.7612 Intermediate Similarity NPC327373
0.7606 Intermediate Similarity NPC156044
0.7605 Intermediate Similarity NPC473833
0.758 Intermediate Similarity NPC319556
0.757 Intermediate Similarity NPC470190
0.7566 Intermediate Similarity NPC471004
0.756 Intermediate Similarity NPC59033
0.756 Intermediate Similarity NPC317672
0.7525 Intermediate Similarity NPC325093
0.7525 Intermediate Similarity NPC322043
0.7524 Intermediate Similarity NPC127647
0.7512 Intermediate Similarity NPC25442
0.7512 Intermediate Similarity NPC12944
0.7511 Intermediate Similarity NPC53255
0.7511 Intermediate Similarity NPC475301
0.7511 Intermediate Similarity NPC85879
0.7511 Intermediate Similarity NPC326930
0.7489 Intermediate Similarity NPC207531
0.7479 Intermediate Similarity NPC13603
0.7469 Intermediate Similarity NPC328928
0.7468 Intermediate Similarity NPC476517
0.7452 Intermediate Similarity NPC289786
0.7451 Intermediate Similarity NPC318020
0.7449 Intermediate Similarity NPC471979
0.7427 Intermediate Similarity NPC182814
0.734 Intermediate Similarity NPC471997
0.7301 Intermediate Similarity NPC235885
0.7265 Intermediate Similarity NPC314270
0.7265 Intermediate Similarity NPC37473
0.7251 Intermediate Similarity NPC20593
0.7244 Intermediate Similarity NPC2395
0.7217 Intermediate Similarity NPC473053
0.7209 Intermediate Similarity NPC155792
0.7179 Intermediate Similarity NPC473565
0.7175 Intermediate Similarity NPC204491
0.7162 Intermediate Similarity NPC317752
0.7162 Intermediate Similarity NPC57690
0.7149 Intermediate Similarity NPC141428
0.7149 Intermediate Similarity NPC478045
0.7118 Intermediate Similarity NPC472762
0.7117 Intermediate Similarity NPC151976
0.7117 Intermediate Similarity NPC318299
0.7116 Intermediate Similarity NPC123395
0.7111 Intermediate Similarity NPC82070
0.71 Intermediate Similarity NPC477975
0.7095 Intermediate Similarity NPC44354
0.7089 Intermediate Similarity NPC146724
0.7071 Intermediate Similarity NPC107123
0.7067 Intermediate Similarity NPC207851
0.705 Intermediate Similarity NPC474217
0.7045 Intermediate Similarity NPC474905
0.7031 Intermediate Similarity NPC475271
0.7025 Intermediate Similarity NPC183537
0.7022 Intermediate Similarity NPC476114
0.7022 Intermediate Similarity NPC203614

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC162812 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
0.7817 Intermediate Similarity NPD8468 Phase 2
0.7534 Intermediate Similarity NPD8325 Phase 3
0.7534 Intermediate Similarity NPD8327 Clinical (unspecified phase)
0.7534 Intermediate Similarity NPD8326 Phase 3
0.7463 Intermediate Similarity NPD8304 Clinical (unspecified phase)
0.743 Intermediate Similarity NPD7396 Approved
0.7398 Intermediate Similarity NPD6635 Approved
0.7352 Intermediate Similarity NPD7069 Discontinued
0.7327 Intermediate Similarity NPD5751 Clinical (unspecified phase)
0.731 Intermediate Similarity NPD5088 Discontinued
0.726 Intermediate Similarity NPD7233 Approved
0.726 Intermediate Similarity NPD7234 Approved
0.7215 Intermediate Similarity NPD6529 Discontinued
0.7157 Intermediate Similarity NPD6641 Approved
0.7157 Intermediate Similarity NPD6642 Approved
0.7149 Intermediate Similarity NPD7927 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD8063 Discontinued
0.7143 Intermediate Similarity NPD6026 Approved
0.7123 Intermediate Similarity NPD6361 Phase 2
0.7097 Intermediate Similarity NPD6477 Clinical (unspecified phase)
0.7097 Intermediate Similarity NPD5721 Clinical (unspecified phase)
0.7089 Intermediate Similarity NPD5975 Clinical (unspecified phase)
0.7064 Intermediate Similarity NPD8409 Suspended
0.7048 Intermediate Similarity NPD8479 Phase 2
0.7018 Intermediate Similarity NPD6298 Discontinued
0.7017 Intermediate Similarity NPD1483 Discontinued
0.7009 Intermediate Similarity NPD3794 Approved
0.7009 Intermediate Similarity NPD4427 Phase 2
0.7009 Intermediate Similarity NPD3795 Approved
0.7004 Intermediate Similarity NPD7886 Phase 2
0.7004 Intermediate Similarity NPD7885 Phase 2
0.7 Intermediate Similarity NPD4901 Clinical (unspecified phase)
0.6991 Remote Similarity NPD53 Approved
0.6991 Remote Similarity NPD7777 Approved
0.6991 Remote Similarity NPD7778 Approved
0.695 Remote Similarity NPD2511 Approved
0.6943 Remote Similarity NPD5147 Discontinued
0.6923 Remote Similarity NPD7010 Phase 3
0.6916 Remote Similarity NPD4989 Phase 2
0.6914 Remote Similarity NPD6525 Clinical (unspecified phase)
0.688 Remote Similarity NPD8052 Clinical (unspecified phase)
0.6875 Remote Similarity NPD4900 Clinical (unspecified phase)
0.6867 Remote Similarity NPD4086 Phase 1
0.6851 Remote Similarity NPD8372 Clinical (unspecified phase)
0.685 Remote Similarity NPD820 Phase 3
0.6849 Remote Similarity NPD4396 Clinical (unspecified phase)
0.684 Remote Similarity NPD4375 Approved
0.6829 Remote Similarity NPD8370 Discontinued
0.682 Remote Similarity NPD7061 Clinical (unspecified phase)
0.6816 Remote Similarity NPD7562 Approved
0.681 Remote Similarity NPD7414 Clinical (unspecified phase)
0.6808 Remote Similarity NPD6257 Clinical (unspecified phase)
0.6804 Remote Similarity NPD6661 Clinical (unspecified phase)
0.6802 Remote Similarity NPD4038 Approved
0.6802 Remote Similarity NPD32 Approved
0.6802 Remote Similarity NPD4122 Approved
0.6802 Remote Similarity NPD4034 Approved
0.6802 Remote Similarity NPD4035 Approved
0.6802 Remote Similarity NPD4037 Approved
0.6802 Remote Similarity NPD4033 Approved
0.6802 Remote Similarity NPD4036 Approved
0.6802 Remote Similarity NPD31 Approved
0.6802 Remote Similarity NPD4039 Approved
0.6792 Remote Similarity NPD4889 Approved
0.6787 Remote Similarity NPD7955 Approved
0.6787 Remote Similarity NPD7956 Approved
0.6754 Remote Similarity NPD7707 Approved
0.6754 Remote Similarity NPD4897 Phase 2
0.6752 Remote Similarity NPD7426 Phase 1
0.6751 Remote Similarity NPD7797 Approved
0.6751 Remote Similarity NPD7796 Approved
0.6749 Remote Similarity NPD7967 Discontinued
0.6744 Remote Similarity NPD3321 Discontinued
0.6736 Remote Similarity NPD5891 Approved
0.6728 Remote Similarity NPD4551 Phase 2
0.6728 Remote Similarity NPD4526 Approved
0.6728 Remote Similarity NPD4529 Approved
0.6728 Remote Similarity NPD4528 Approved
0.6726 Remote Similarity NPD6262 Clinical (unspecified phase)
0.6725 Remote Similarity NPD3394 Approved
0.6725 Remote Similarity NPD3389 Approved
0.6725 Remote Similarity NPD3393 Approved
0.6724 Remote Similarity NPD5506 Approved
0.6724 Remote Similarity NPD5507 Approved
0.6715 Remote Similarity NPD6739 Clinical (unspecified phase)
0.6714 Remote Similarity NPD1620 Clinical (unspecified phase)
0.6712 Remote Similarity NPD6206 Phase 1
0.6711 Remote Similarity NPD7947 Clinical (unspecified phase)
0.6707 Remote Similarity NPD8373 Clinical (unspecified phase)
0.6699 Remote Similarity NPD6872 Clinical (unspecified phase)
0.6698 Remote Similarity NPD4021 Phase 2
0.6697 Remote Similarity NPD4601 Approved
0.6697 Remote Similarity NPD8486 Clinical (unspecified phase)
0.6697 Remote Similarity NPD4600 Approved
0.6696 Remote Similarity NPD7958 Clinical (unspecified phase)
0.6696 Remote Similarity NPD6732 Clinical (unspecified phase)
0.6696 Remote Similarity NPD7957 Phase 1
0.6694 Remote Similarity NPD6276 Discontinued
0.6693 Remote Similarity NPD7708 Approved
0.6684 Remote Similarity NPD2896 Discontinued
0.6682 Remote Similarity NPD4376 Phase 3
0.6681 Remote Similarity NPD3280 Approved
0.6667 Remote Similarity NPD3815 Phase 1
0.6667 Remote Similarity NPD3816 Phase 1
0.6667 Remote Similarity NPD6281 Approved
0.6667 Remote Similarity NPD8412 Phase 1
0.6654 Remote Similarity NPD7803 Approved
0.6651 Remote Similarity NPD8021 Approved
0.6651 Remote Similarity NPD8020 Approved
0.6651 Remote Similarity NPD3386 Phase 2
0.6638 Remote Similarity NPD7571 Clinical (unspecified phase)
0.6636 Remote Similarity NPD8485 Approved
0.6636 Remote Similarity NPD5003 Discontinued
0.6636 Remote Similarity NPD3785 Clinical (unspecified phase)
0.6636 Remote Similarity NPD2336 Approved
0.6635 Remote Similarity NPD485 Clinical (unspecified phase)
0.6623 Remote Similarity NPD4417 Approved
0.662 Remote Similarity NPD4334 Discontinued
0.661 Remote Similarity NPD5640 Discontinued
0.661 Remote Similarity NPD8289 Discontinued
0.6609 Remote Similarity NPD8112 Clinical (unspecified phase)
0.6606 Remote Similarity NPD3922 Approved
0.6606 Remote Similarity NPD3923 Approved
0.6606 Remote Similarity NPD3924 Approved
0.6606 Remote Similarity NPD3921 Approved
0.6606 Remote Similarity NPD6569 Phase 2
0.6606 Remote Similarity NPD6665 Discontinued
0.6601 Remote Similarity NPD2581 Approved
0.6601 Remote Similarity NPD2582 Approved
0.6597 Remote Similarity NPD7589 Clinical (unspecified phase)
0.6595 Remote Similarity NPD7395 Discontinued
0.6595 Remote Similarity NPD6568 Discontinued
0.659 Remote Similarity NPD2544 Clinical (unspecified phase)
0.659 Remote Similarity NPD8361 Approved
0.659 Remote Similarity NPD8360 Approved
0.6588 Remote Similarity NPD1032 Phase 2
0.6584 Remote Similarity NPD7025 Clinical (unspecified phase)
0.6578 Remote Similarity NPD3946 Clinical (unspecified phase)
0.6564 Remote Similarity NPD2509 Approved
0.6564 Remote Similarity NPD2510 Approved
0.6562 Remote Similarity NPD7561 Approved
0.6556 Remote Similarity NPD7807 Clinical (unspecified phase)
0.6552 Remote Similarity NPD3326 Clinical (unspecified phase)
0.655 Remote Similarity NPD7470 Discontinued
0.6549 Remote Similarity NPD4862 Clinical (unspecified phase)
0.6547 Remote Similarity NPD4501 Approved
0.6547 Remote Similarity NPD4500 Approved
0.6547 Remote Similarity NPD6479 Discontinued
0.654 Remote Similarity NPD5100 Phase 3
0.6537 Remote Similarity NPD5149 Phase 2
0.6537 Remote Similarity NPD5148 Clinical (unspecified phase)
0.6535 Remote Similarity NPD4437 Phase 3
0.6533 Remote Similarity NPD5513 Phase 2
0.6533 Remote Similarity NPD5487 Phase 1
0.6532 Remote Similarity NPD6261 Phase 3
0.6524 Remote Similarity NPD7878 Phase 2
0.652 Remote Similarity NPD5429 Discontinued
0.6516 Remote Similarity NPD2307 Discontinued
0.6515 Remote Similarity NPD3813 Approved
0.6515 Remote Similarity NPD6494 Phase 2
0.6515 Remote Similarity NPD7558 Phase 2
0.6514 Remote Similarity NPD2565 Phase 2
0.6514 Remote Similarity NPD2564 Approved
0.6514 Remote Similarity NPD8435 Approved
0.6514 Remote Similarity NPD4081 Clinical (unspecified phase)
0.6513 Remote Similarity NPD6553 Clinical (unspecified phase)
0.6513 Remote Similarity NPD203 Clinical (unspecified phase)
0.6511 Remote Similarity NPD4301 Approved
0.6506 Remote Similarity NPD8101 Phase 3
0.6504 Remote Similarity NPD2831 Approved
0.6502 Remote Similarity NPD6874 Approved
0.6502 Remote Similarity NPD6248 Phase 2
0.6502 Remote Similarity NPD6249 Phase 2
0.65 Remote Similarity NPD9271 Approved
0.6498 Remote Similarity NPD6791 Phase 2
0.6498 Remote Similarity NPD3925 Approved
0.6493 Remote Similarity NPD5322 Clinical (unspecified phase)
0.649 Remote Similarity NPD7417 Discontinued
0.6489 Remote Similarity NPD7187 Phase 2
0.6489 Remote Similarity NPD8465 Approved
0.6489 Remote Similarity NPD8466 Approved
0.6489 Remote Similarity NPD8467 Approved
0.6488 Remote Similarity NPD5255 Approved
0.6483 Remote Similarity NPD8356 Approved
0.6482 Remote Similarity NPD7169 Suspended
0.6476 Remote Similarity NPD1078 Clinical (unspecified phase)
0.6473 Remote Similarity NPD5015 Clinical (unspecified phase)
0.6473 Remote Similarity NPD6219 Discontinued
0.6471 Remote Similarity NPD3396 Approved
0.6471 Remote Similarity NPD3395 Approved
0.646 Remote Similarity NPD2121 Clinical (unspecified phase)
0.6455 Remote Similarity NPD4315 Phase 2
0.6454 Remote Similarity NPD7859 Phase 2
0.6453 Remote Similarity NPD1926 Approved
0.6453 Remote Similarity NPD3354 Phase 2
0.645 Remote Similarity NPD6657 Clinical (unspecified phase)
0.6449 Remote Similarity NPD5898 Approved
0.6449 Remote Similarity NPD5899 Approved
0.6449 Remote Similarity NPD5897 Approved
0.6448 Remote Similarity NPD8364 Approved

Structure

External Identifiers

PubChem CID   10896433
ChEMBL   CHEMBL517512
ZINC  

Physicochemical Properties

Molecular Weight:  505.25
ALogP:  -0.1534
MLogP:  3.99
XLogP:  3.675
# Rotatable Bonds:  7
Polar Surface Area:  98.11
# H-Bond Aceptor:  7
# H-Bond Donor:  2
# Rings:  5
# Heavy Atoms:  37

Download Data

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