Natural Product: NPC470816

Natural Product ID:  NPC470816
Common Name:   (1R,3S,5S,5As,7S,9R,9As,9Br)-5-Hydroxy-1,3-Dimethoxy-7,9A-Dimethyl-6-Methylene-1,3,5,5A,6,7,8,9,9A,9B-Decahydronaphtho[2,1-C]Furan-9-Yl 3-Phenylpropanoate
IUPAC Name:   [(1R,3S,5S,5aS,7S,9R,9aS,9bR)-5-hydroxy-1,3-dimethoxy-7,9a-dimethyl-6-methylidene-1,3,5,5a,7,8,9,9b-octahydrobenzo[e][2]benzofuran-9-yl] 3-phenylpropanoate
Synonyms:  
Molecular Formula:   C26H34O6
Standard InCHIKey:  RHYMAECQOXIJAK-WWRMZXHISA-N
Standard InCHI:  InChI=1S/C26H34O6/c1-15-13-20(31-21(28)12-11-17-9-7-6-8-10-17)26(3)22(16(15)2)19(27)14-18-23(26)25(30-5)32-24(18)29-4/h6-10,14-15,19-20,22-25,27H,2,11-13H2,1,3-5H3/t15-,19-,20+,22+,23+,24-,25+,26-/m0/s1
Canonical SMILES:  CO[C@@H]1O[C@@H](C2=C[C@@H]([C@@H]3[C@]([C@@H]12)(C)[C@H](OC(=O)CCc1ccccc1)C[C@@H](C3=C)C)O)OC
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
NPO12007 Pseudowintera axillaris Species Winteraceae Eukaryota PMID[16417306]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT6576 Organism Puccinia graminis f. tritici Puccinia graminis f. tritici Inhibition = 42 % 14640513
NPT6576 Organism Puccinia graminis f. tritici Puccinia graminis f. tritici Inhibition = 9 % 25260957
NPT1095 Organism Plasmopara viticola Plasmopara viticola Inhibition = 0 % 25260957
NPT825 Organism Phytophthora infestans Phytophthora infestans Inhibition = 0 % 23327668
NPT1095 Organism Plasmopara viticola Plasmopara viticola Inhibition = 0 % 23327668
NPT828 Organism Phaeosphaeria nodorum Phaeosphaeria nodorum Inhibition = 0 % 24210499
NPT828 Organism Phaeosphaeria nodorum Phaeosphaeria nodorum Inhibition = 0 % 12880317
NPT828 Organism Phaeosphaeria nodorum Phaeosphaeria nodorum Inhibition = 0 % 25920564
NPT827 Organism Mycosphaerella graminicola Mycosphaerella graminicola Inhibition = 90 % 16203143
NPT827 Organism Mycosphaerella graminicola Mycosphaerella graminicola Inhibition = 17 % 16203143
NPT827 Organism Mycosphaerella graminicola Mycosphaerella graminicola Inhibition = 0 % 18077363

  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 NPC470816 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
0.9339 High Similarity NPC470815
0.904 High Similarity NPC230331
0.9032 High Similarity NPC470818
0.8926 High Similarity NPC470814
0.8678 High Similarity NPC470820
0.8583 High Similarity NPC100402
0.8583 High Similarity NPC9180
0.8561 High Similarity NPC473216
0.8561 High Similarity NPC473399
0.8462 Intermediate Similarity NPC472388
0.8425 Intermediate Similarity NPC140118
0.8425 Intermediate Similarity NPC12881
0.8421 Intermediate Similarity NPC471864
0.8385 Intermediate Similarity NPC225103
0.8333 Intermediate Similarity NPC80599
0.8333 Intermediate Similarity NPC475493
0.8321 Intermediate Similarity NPC475513
0.8321 Intermediate Similarity NPC473443
0.8321 Intermediate Similarity NPC473755
0.831 Intermediate Similarity NPC179128
0.831 Intermediate Similarity NPC87630
0.831 Intermediate Similarity NPC116292
0.831 Intermediate Similarity NPC267469
0.8296 Intermediate Similarity NPC262324
0.8296 Intermediate Similarity NPC243893
0.8281 Intermediate Similarity NPC472373
0.8231 Intermediate Similarity NPC5486
0.8231 Intermediate Similarity NPC253681
0.8222 Intermediate Similarity NPC472374
0.8222 Intermediate Similarity NPC472372
0.8211 Intermediate Similarity NPC473869
0.8209 Intermediate Similarity NPC48929
0.8203 Intermediate Similarity NPC473870
0.8203 Intermediate Similarity NPC182333
0.8203 Intermediate Similarity NPC273336
0.8203 Intermediate Similarity NPC12016
0.8203 Intermediate Similarity NPC473871
0.8201 Intermediate Similarity NPC111466
0.8195 Intermediate Similarity NPC471880
0.8182 Intermediate Similarity NPC35160
0.8182 Intermediate Similarity NPC162569
0.8175 Intermediate Similarity NPC79921
0.8169 Intermediate Similarity NPC469448
0.8156 Intermediate Similarity NPC208293
0.8156 Intermediate Similarity NPC320734
0.8154 Intermediate Similarity NPC45821
0.8154 Intermediate Similarity NPC275576
0.8143 Intermediate Similarity NPC40085
0.8143 Intermediate Similarity NPC264270
0.814 Intermediate Similarity NPC307139
0.814 Intermediate Similarity NPC77691
0.814 Intermediate Similarity NPC469742
0.8125 Intermediate Similarity NPC473889
0.8092 Intermediate Similarity NPC169913
0.8077 Intermediate Similarity NPC471758
0.8062 Intermediate Similarity NPC108286
0.806 Intermediate Similarity NPC209851
0.8045 Intermediate Similarity NPC147561
0.8043 Intermediate Similarity NPC472547
0.8043 Intermediate Similarity NPC100913
0.8043 Intermediate Similarity NPC275592
0.8043 Intermediate Similarity NPC90614
0.8042 Intermediate Similarity NPC475417
0.8042 Intermediate Similarity NPC475561
0.803 Intermediate Similarity NPC195224
0.8029 Intermediate Similarity NPC39549
0.8016 Intermediate Similarity NPC84129
0.8015 Intermediate Similarity NPC470158
0.8015 Intermediate Similarity NPC473082
0.8015 Intermediate Similarity NPC475933
0.8015 Intermediate Similarity NPC477893
0.8 Intermediate Similarity NPC472658
0.8 Intermediate Similarity NPC69425
0.8 Intermediate Similarity NPC472657
0.8 Intermediate Similarity NPC15850
0.8 Intermediate Similarity NPC159811
0.8 Intermediate Similarity NPC91703
0.7986 Intermediate Similarity NPC97947
0.7986 Intermediate Similarity NPC291599
0.7986 Intermediate Similarity NPC87448
0.7986 Intermediate Similarity NPC469415
0.7986 Intermediate Similarity NPC118080
0.7986 Intermediate Similarity NPC41481
0.7986 Intermediate Similarity NPC325078
0.7986 Intermediate Similarity NPC27377
0.7986 Intermediate Similarity NPC472576
0.7985 Intermediate Similarity NPC305162
0.7984 Intermediate Similarity NPC369
0.7984 Intermediate Similarity NPC293831
0.7984 Intermediate Similarity NPC475328
0.7969 Intermediate Similarity NPC234337
0.7969 Intermediate Similarity NPC183339
0.7969 Intermediate Similarity NPC133389
0.7956 Intermediate Similarity NPC472551
0.7956 Intermediate Similarity NPC472545
0.7955 Intermediate Similarity NPC171007
0.7955 Intermediate Similarity NPC190849
0.7955 Intermediate Similarity NPC476971
0.7955 Intermediate Similarity NPC476972
0.7953 Intermediate Similarity NPC473860
0.7945 Intermediate Similarity NPC34066
0.7945 Intermediate Similarity NPC471176
0.7945 Intermediate Similarity NPC469422
0.7917 Intermediate Similarity NPC303429
0.7917 Intermediate Similarity NPC222102
0.7917 Intermediate Similarity NPC252296
0.7914 Intermediate Similarity NPC475400
0.7914 Intermediate Similarity NPC97667
0.7914 Intermediate Similarity NPC171207
0.7903 Intermediate Similarity NPC469547
0.7883 Intermediate Similarity NPC477896
0.7879 Intermediate Similarity NPC476970
0.7877 Intermediate Similarity NPC133430
0.7877 Intermediate Similarity NPC469477
0.7874 Intermediate Similarity NPC45794
0.7874 Intermediate Similarity NPC152812
0.7872 Intermediate Similarity NPC163087
0.7862 Intermediate Similarity NPC329657
0.7857 Intermediate Similarity NPC16912
0.7852 Intermediate Similarity NPC72915
0.7852 Intermediate Similarity NPC472418
0.7851 Intermediate Similarity NPC184512
0.7838 Intermediate Similarity NPC469417
0.7836 Intermediate Similarity NPC93632
0.7832 Intermediate Similarity NPC469513
0.7823 Intermediate Similarity NPC469456
0.7823 Intermediate Similarity NPC469398
0.782 Intermediate Similarity NPC473423
0.7817 Intermediate Similarity NPC470152
0.7817 Intermediate Similarity NPC475122
0.7817 Intermediate Similarity NPC475759
0.7817 Intermediate Similarity NPC38696
0.7817 Intermediate Similarity NPC241951
0.7817 Intermediate Similarity NPC204644
0.7812 Intermediate Similarity NPC89324
0.781 Intermediate Similarity NPC203486
0.781 Intermediate Similarity NPC126516
0.781 Intermediate Similarity NPC474608
0.7803 Intermediate Similarity NPC473083
0.7801 Intermediate Similarity NPC140021
0.7801 Intermediate Similarity NPC34012
0.7794 Intermediate Similarity NPC476976
0.7786 Intermediate Similarity NPC473440
0.7785 Intermediate Similarity NPC469399
0.7785 Intermediate Similarity NPC476784
0.7778 Intermediate Similarity NPC49272
0.7778 Intermediate Similarity NPC475138
0.7769 Intermediate Similarity NPC300827
0.7769 Intermediate Similarity NPC473439
0.7769 Intermediate Similarity NPC37641
0.7769 Intermediate Similarity NPC311175
0.7762 Intermediate Similarity NPC471104
0.7762 Intermediate Similarity NPC174982
0.7762 Intermediate Similarity NPC469349
0.7762 Intermediate Similarity NPC472568
0.7762 Intermediate Similarity NPC472556
0.7762 Intermediate Similarity NPC96903
0.7762 Intermediate Similarity NPC177940
0.7762 Intermediate Similarity NPC184817
0.7762 Intermediate Similarity NPC472572
0.7762 Intermediate Similarity NPC476973
0.7762 Intermediate Similarity NPC158663
0.7762 Intermediate Similarity NPC473088
0.7762 Intermediate Similarity NPC277053
0.7762 Intermediate Similarity NPC472575
0.7762 Intermediate Similarity NPC29704
0.7762 Intermediate Similarity NPC470159
0.7762 Intermediate Similarity NPC70403
0.7762 Intermediate Similarity NPC200471
0.7762 Intermediate Similarity NPC470157
0.7762 Intermediate Similarity NPC171525
0.7762 Intermediate Similarity NPC301946
0.7762 Intermediate Similarity NPC472571
0.7754 Intermediate Similarity NPC291638
0.7754 Intermediate Similarity NPC17877
0.7754 Intermediate Similarity NPC472577
0.7754 Intermediate Similarity NPC195647
0.7754 Intermediate Similarity NPC66761
0.775 Intermediate Similarity NPC134270
0.7746 Intermediate Similarity NPC477894
0.7733 Intermediate Similarity NPC477623
0.773 Intermediate Similarity NPC224491
0.773 Intermediate Similarity NPC471862
0.7724 Intermediate Similarity NPC470330
0.7721 Intermediate Similarity NPC472361
0.7721 Intermediate Similarity NPC476977
0.7721 Intermediate Similarity NPC17567
0.7714 Intermediate Similarity NPC9905
0.771 Intermediate Similarity NPC70973
0.771 Intermediate Similarity NPC473749
0.7708 Intermediate Similarity NPC474935
0.7703 Intermediate Similarity NPC5115
0.7697 Intermediate Similarity NPC295408
0.7697 Intermediate Similarity NPC150893
0.7697 Intermediate Similarity NPC329960
0.7692 Intermediate Similarity NPC11685
0.7692 Intermediate Similarity NPC163719
0.7692 Intermediate Similarity NPC472569
0.7692 Intermediate Similarity NPC70716
0.7692 Intermediate Similarity NPC57628

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC470816 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 NPD5952 Clinical (unspecified phase)
0.7638 Intermediate Similarity NPD2629 Approved
0.7557 Intermediate Similarity NPD5126 Approved
0.7557 Intermediate Similarity NPD5125 Phase 3
0.7482 Intermediate Similarity NPD7966 Clinical (unspecified phase)
0.748 Intermediate Similarity NPD7094 Approved
0.748 Intermediate Similarity NPD6858 Approved
0.7422 Intermediate Similarity NPD6010 Discontinued
0.7419 Intermediate Similarity NPD6685 Approved
0.7405 Intermediate Similarity NPD7799 Discontinued
0.7405 Intermediate Similarity NPD7741 Discontinued
0.7397 Intermediate Similarity NPD7236 Approved
0.7339 Intermediate Similarity NPD5048 Discontinued
0.7317 Intermediate Similarity NPD6647 Phase 2
0.7303 Intermediate Similarity NPD37 Approved
0.7299 Intermediate Similarity NPD6007 Clinical (unspecified phase)
0.7286 Intermediate Similarity NPD6663 Approved
0.7273 Intermediate Similarity NPD4967 Phase 2
0.7273 Intermediate Similarity NPD4965 Approved
0.7273 Intermediate Similarity NPD4966 Approved
0.7258 Intermediate Similarity NPD5909 Discontinued
0.7246 Intermediate Similarity NPD5736 Approved
0.7177 Intermediate Similarity NPD5765 Approved
0.7177 Intermediate Similarity NPD5738 Clinical (unspecified phase)
0.7153 Intermediate Similarity NPD7305 Phase 1
0.7152 Intermediate Similarity NPD7239 Suspended
0.7143 Intermediate Similarity NPD8470 Clinical (unspecified phase)
0.7111 Intermediate Similarity NPD7457 Clinical (unspecified phase)
0.7081 Intermediate Similarity NPD7228 Approved
0.707 Intermediate Similarity NPD6234 Discontinued
0.7067 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7055 Intermediate Similarity NPD6004 Phase 3
0.7055 Intermediate Similarity NPD6006 Clinical (unspecified phase)
0.7055 Intermediate Similarity NPD6002 Phase 3
0.7055 Intermediate Similarity NPD6003 Clinical (unspecified phase)
0.7055 Intermediate Similarity NPD6005 Phase 3
0.7045 Intermediate Similarity NPD4198 Discontinued
0.7031 Intermediate Similarity NPD6831 Clinical (unspecified phase)
0.7027 Intermediate Similarity NPD8166 Discontinued
0.7021 Intermediate Similarity NPD7008 Discontinued
0.7 Intermediate Similarity NPD6912 Phase 3
0.697 Remote Similarity NPD5951 Approved
0.6954 Remote Similarity NPD8389 Clinical (unspecified phase)
0.6953 Remote Similarity NPD6686 Approved
0.6942 Remote Similarity NPD5122 Clinical (unspecified phase)
0.6929 Remote Similarity NPD5740 Clinical (unspecified phase)
0.6929 Remote Similarity NPD6085 Phase 2
0.6923 Remote Similarity NPD2181 Clinical (unspecified phase)
0.6923 Remote Similarity NPD7961 Discontinued
0.6913 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6912 Remote Similarity NPD2932 Approved
0.6912 Remote Similarity NPD3412 Clinical (unspecified phase)
0.6886 Remote Similarity NPD8407 Phase 2
0.6867 Remote Similarity NPD7274 Clinical (unspecified phase)
0.686 Remote Similarity NPD1088 Approved
0.6849 Remote Similarity NPD4978 Clinical (unspecified phase)
0.6846 Remote Similarity NPD2067 Discontinued
0.6829 Remote Similarity NPD1989 Approved
0.6824 Remote Similarity NPD7266 Discontinued
0.6815 Remote Similarity NPD8455 Phase 2
0.6815 Remote Similarity NPD6065 Approved
0.6807 Remote Similarity NPD7240 Approved
0.6807 Remote Similarity NPD8368 Discontinued
0.6806 Remote Similarity NPD7714 Approved
0.6806 Remote Similarity NPD7715 Approved
0.68 Remote Similarity NPD7639 Approved
0.68 Remote Similarity NPD2066 Phase 3
0.68 Remote Similarity NPD7640 Approved
0.68 Remote Similarity NPD4628 Phase 3
0.68 Remote Similarity NPD7798 Approved
0.6794 Remote Similarity NPD4141 Clinical (unspecified phase)
0.6788 Remote Similarity NPD3019 Approved
0.6788 Remote Similarity NPD7163 Clinical (unspecified phase)
0.6776 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6774 Remote Similarity NPD6591 Clinical (unspecified phase)
0.6774 Remote Similarity NPD7458 Discontinued
0.677 Remote Similarity NPD8127 Discontinued
0.6759 Remote Similarity NPD4140 Approved
0.6748 Remote Similarity NPD1693 Approved
0.6736 Remote Similarity NPD3764 Approved
0.673 Remote Similarity NPD7058 Phase 2
0.673 Remote Similarity NPD7057 Phase 3
0.672 Remote Similarity NPD7638 Approved
0.6715 Remote Similarity NPD8516 Approved
0.6715 Remote Similarity NPD8517 Approved
0.6715 Remote Similarity NPD8515 Approved
0.6715 Remote Similarity NPD8513 Phase 3
0.6713 Remote Similarity NPD2613 Approved
0.6712 Remote Similarity NPD6355 Discontinued
0.6711 Remote Similarity NPD5763 Approved
0.6711 Remote Similarity NPD5762 Approved
0.6694 Remote Similarity NPD1090 Approved
0.6694 Remote Similarity NPD3673 Approved
0.6694 Remote Similarity NPD1086 Approved
0.6694 Remote Similarity NPD3672 Approved
0.6694 Remote Similarity NPD1089 Approved
0.669 Remote Similarity NPD8032 Phase 2
0.6689 Remote Similarity NPD7033 Discontinued
0.6688 Remote Similarity NPD6273 Approved
0.6667 Remote Similarity NPD3317 Approved
0.6667 Remote Similarity NPD7199 Phase 2
0.6644 Remote Similarity NPD6100 Approved
0.6644 Remote Similarity NPD7137 Phase 2
0.6644 Remote Similarity NPD6099 Approved
0.6643 Remote Similarity NPD1608 Approved
0.6643 Remote Similarity NPD6637 Approved
0.6641 Remote Similarity NPD2182 Approved
0.6641 Remote Similarity NPD1929 Approved
0.6641 Remote Similarity NPD1930 Approved
0.6641 Remote Similarity NPD1931 Clinical (unspecified phase)
0.6627 Remote Similarity NPD8312 Approved
0.6627 Remote Similarity NPD8313 Approved
0.6624 Remote Similarity NPD7028 Phase 2
0.6621 Remote Similarity NPD1699 Clinical (unspecified phase)
0.6617 Remote Similarity NPD969 Suspended
0.6613 Remote Similarity NPD688 Clinical (unspecified phase)
0.6612 Remote Similarity NPD689 Discontinued
0.6612 Remote Similarity NPD800 Approved
0.6612 Remote Similarity NPD5347 Phase 2
0.6612 Remote Similarity NPD5346 Phase 2
0.6608 Remote Similarity NPD8434 Phase 2
0.6597 Remote Similarity NPD7055 Discontinued
0.6594 Remote Similarity NPD7503 Approved
0.6587 Remote Similarity NPD9495 Approved
0.6579 Remote Similarity NPD4109 Clinical (unspecified phase)
0.6579 Remote Similarity NPD4110 Phase 3
0.6575 Remote Similarity NPD3088 Approved
0.6575 Remote Similarity NPD2572 Clinical (unspecified phase)
0.6575 Remote Similarity NPD2573 Approved
0.6575 Remote Similarity NPD2570 Approved
0.6575 Remote Similarity NPD3615 Approved
0.6575 Remote Similarity NPD2566 Approved
0.6575 Remote Similarity NPD3089 Approved
0.6575 Remote Similarity NPD4745 Approved
0.6575 Remote Similarity NPD4746 Phase 3
0.6575 Remote Similarity NPD3087 Approved
0.6575 Remote Similarity NPD3614 Approved
0.6575 Remote Similarity NPD2574 Discontinued
0.6575 Remote Similarity NPD3090 Approved
0.6575 Remote Similarity NPD3616 Approved
0.6575 Remote Similarity NPD2571 Approved
0.6573 Remote Similarity NPD6917 Clinical (unspecified phase)
0.6571 Remote Similarity NPD4807 Approved
0.6571 Remote Similarity NPD5618 Discontinued
0.6571 Remote Similarity NPD4806 Approved
0.6569 Remote Similarity NPD7610 Discontinued
0.655 Remote Similarity NPD8055 Clinical (unspecified phase)
0.6549 Remote Similarity NPD1283 Approved
0.6547 Remote Similarity NPD5306 Approved
0.6547 Remote Similarity NPD1778 Approved
0.6547 Remote Similarity NPD5305 Approved
0.6532 Remote Similarity NPD8361 Approved
0.6532 Remote Similarity NPD8360 Approved
0.6531 Remote Similarity NPD2979 Phase 3
0.6525 Remote Similarity NPD7507 Approved
0.6522 Remote Similarity NPD4479 Discontinued
0.6522 Remote Similarity NPD3091 Approved
0.6519 Remote Similarity NPD4869 Clinical (unspecified phase)
0.6513 Remote Similarity NPD6674 Discontinued
0.6512 Remote Similarity NPD5700 Clinical (unspecified phase)
0.6512 Remote Similarity NPD8424 Clinical (unspecified phase)
0.651 Remote Similarity NPD7097 Phase 1
0.6509 Remote Similarity NPD6559 Discontinued
0.6508 Remote Similarity NPD1565 Approved
0.6508 Remote Similarity NPD1564 Approved
0.6508 Remote Similarity NPD1566 Phase 3
0.6507 Remote Similarity NPD6410 Clinical (unspecified phase)
0.6507 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6504 Remote Similarity NPD1239 Approved
0.6503 Remote Similarity NPD2797 Approved
0.6503 Remote Similarity NPD3094 Phase 2
0.65 Remote Similarity NPD3026 Approved
0.65 Remote Similarity NPD3023 Approved
0.649 Remote Similarity NPD7702 Clinical (unspecified phase)
0.6489 Remote Similarity NPD6412 Phase 2
0.6486 Remote Similarity NPD4686 Approved
0.6486 Remote Similarity NPD4684 Phase 3
0.6486 Remote Similarity NPD4685 Phase 3
0.6485 Remote Similarity NPD7184 Clinical (unspecified phase)
0.648 Remote Similarity NPD6049 Phase 2
0.648 Remote Similarity NPD6048 Clinical (unspecified phase)
0.6475 Remote Similarity NPD3025 Approved
0.6475 Remote Similarity NPD5585 Approved
0.6475 Remote Similarity NPD3024 Approved
0.6471 Remote Similarity NPD4766 Approved
0.6471 Remote Similarity NPD7003 Approved
0.6456 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6454 Remote Similarity NPD4218 Approved
0.6454 Remote Similarity NPD2609 Approved
0.6454 Remote Similarity NPD2612 Approved
0.6454 Remote Similarity NPD3092 Approved
0.6454 Remote Similarity NPD4217 Approved
0.6454 Remote Similarity NPD2608 Approved
0.6454 Remote Similarity NPD4216 Approved
0.6454 Remote Similarity NPD3131 Approved
0.6454 Remote Similarity NPD4215 Approved
0.6454 Remote Similarity NPD6287 Discontinued
0.6454 Remote Similarity NPD2610 Approved
0.6454 Remote Similarity NPD3132 Approved
0.6454 Remote Similarity NPD2611 Approved

Structure

External Identifiers

PubChem CID   11704895
ChEMBL   CHEMBL2252774
ZINC  

Physicochemical Properties

Molecular Weight:  442.24
ALogP:  0.7318
MLogP:  3.66
XLogP:  4.79
# Rotatable Bonds:  12
Polar Surface Area:  74.22
# H-Bond Aceptor:  6
# H-Bond Donor:  1
# Rings:  4
# Heavy Atoms:  32

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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