Natural Product: NPC163248

Natural Product ID:  NPC163248
Common Name:   10-(1,1-Dimethyl-Allyl)-5-(1,1-Dimethyl-Allyloxy)-8,8-Dimethyl-8H-Pyrano[3,2-G]Chromen-2-One
IUPAC Name:   2,2-dimethyl-10-(2-methylbut-3-en-2-yl)-5-(2-methylbut-3-en-2-yloxy)pyrano[3,2-g]chromen-8-one
Synonyms:  
Molecular Formula:   C24H28O4
Standard InCHIKey:  JUUQZEDESBYHJJ-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C24H28O4/c1-9-22(3,4)18-20-15(11-12-17(25)26-20)19(27-23(5,6)10-2)16-13-14-24(7,8)28-21(16)18/h9-14H,1-2H2,3-8H3
Canonical SMILES:  C=CC(Oc1c2C=CC(Oc2c(c2c1ccc(=O)o2)C(C=C)(C)C)(C)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
NPO5881 Catharanthus roseus Species Apocynaceae Eukaryota UNPD*
NPO2962 Curvularia spicifera Species Pleosporaceae Eukaryota UNPD*
NPO7003 Streptomyces violaceochromogenes Species Streptomycetaceae Bacteria UNPD*
NPO2236 Pyrola rotundifolia Species Ericaceae Eukaryota UNPD*
NPO11107 Stevia alpina Species Asteraceae Eukaryota UNPD*
NPO10402 Strophanthus eminii Species Apocynaceae Eukaryota UNPD*
NPO9537 Bauhinia racemosa Species Fabaceae Eukaryota UNPD*
NPO11978 Tanacetum argyrophyllum Species Asteraceae Eukaryota UNPD*
NPO9765 Petriella guttulata Species Microascaceae Eukaryota UNPD*
NPO5904 Grindelia humilis Species Asteraceae Eukaryota UNPD*
NPO17324 Pluchea dioscoridis Species Asteraceae Eukaryota UNPD*
NPO5489 Cinnamomum tenuifolium Species Lauraceae Eukaryota UNPD*
NPO14773 Uncaria perrottetii Species Rubiaceae Eukaryota UNPD*
NPO9919 Jaspis stellifera Species Ancorinidae Eukaryota UNPD*
NPO12094 Cyclamen balearicum Species Primulaceae Eukaryota UNPD*
NPO8528 Citrus junos Species Rutaceae Eukaryota UNPD*
NPO29494 Stoeba extensa NA NA NA UNPD*
NPO24178 Citrus rugulosa Species Rutaceae Eukaryota TCMID*
NPO9955 Citrus jambhiri Species Rutaceae Eukaryota TCMID*
NPO7828 Citrus tachibana Species Rutaceae Eukaryota TCMID*
NPO15730.1 Citrus medica var. etrog Varieties Rutaceae Eukaryota TCMID*
NPO18265 Citrus tamurana Species Rutaceae Eukaryota TCMID*
NPO8528 Citrus junos Species Rutaceae Eukaryota TCMID*
NPO18677 Anagallis arvensis Species Primulaceae Eukaryota UNPD*
NPO19014 Palythoa tuberculosa Species Sphenopidae Eukaryota UNPD*
NPO7263 Phyllobates aurotaenia Species Dendrobatidae Eukaryota UNPD*
NPO11021 Moringa oleifera Species Moringaceae Eukaryota UNPD*
NPO4311 Asterolasia squamuligera Species Rutaceae Eukaryota UNPD*
NPO24877 Maianthemum stellatum Species Asparagaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT32 Organism Mus musculus Mus musculus Inhibition = 91.2 % 10636244

  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 NPC163248 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
0.9917 High Similarity NPC289316
0.9597 High Similarity NPC37009
0.9597 High Similarity NPC66430
0.95 High Similarity NPC150214
0.9444 High Similarity NPC83535
0.9421 High Similarity NPC143725
0.9421 High Similarity NPC50720
0.9344 High Similarity NPC291899
0.9268 High Similarity NPC232692
0.9268 High Similarity NPC202594
0.92 High Similarity NPC157212
0.9194 High Similarity NPC471826
0.9113 High Similarity NPC471827
0.9113 High Similarity NPC471828
0.9106 High Similarity NPC290605
0.9106 High Similarity NPC173350
0.9106 High Similarity NPC154176
0.9048 High Similarity NPC139595
0.9048 High Similarity NPC60704
0.9048 High Similarity NPC293642
0.9032 High Similarity NPC73413
0.9032 High Similarity NPC111347
0.9032 High Similarity NPC201667
0.9024 High Similarity NPC257188
0.9024 High Similarity NPC13007
0.8952 High Similarity NPC472518
0.8952 High Similarity NPC109675
0.8952 High Similarity NPC273772
0.8915 High Similarity NPC19157
0.8898 High Similarity NPC185066
0.888 High Similarity NPC27671
0.8871 High Similarity NPC248429
0.8871 High Similarity NPC96286
0.8846 High Similarity NPC318400
0.8846 High Similarity NPC167111
0.8846 High Similarity NPC471910
0.8846 High Similarity NPC133956
0.8846 High Similarity NPC296624
0.8846 High Similarity NPC207002
0.879 High Similarity NPC144418
0.8788 High Similarity NPC283331
0.8779 High Similarity NPC18804
0.8779 High Similarity NPC127888
0.8779 High Similarity NPC198381
0.8779 High Similarity NPC260265
0.8779 High Similarity NPC100986
0.8779 High Similarity NPC166672
0.8779 High Similarity NPC74655
0.8779 High Similarity NPC164269
0.8779 High Similarity NPC47163
0.8779 High Similarity NPC84894
0.8779 High Similarity NPC287182
0.8779 High Similarity NPC267412
0.8779 High Similarity NPC195343
0.8779 High Similarity NPC319859
0.8779 High Similarity NPC147030
0.8769 High Similarity NPC14248
0.8769 High Similarity NPC469956
0.876 High Similarity NPC80170
0.875 High Similarity NPC472519
0.8722 High Similarity NPC306365
0.8722 High Similarity NPC14697
0.8712 High Similarity NPC471909
0.8712 High Similarity NPC86892
0.8712 High Similarity NPC281241
0.8712 High Similarity NPC471625
0.8712 High Similarity NPC472424
0.8702 High Similarity NPC469955
0.8702 High Similarity NPC142563
0.8702 High Similarity NPC205797
0.8702 High Similarity NPC7526
0.8702 High Similarity NPC141822
0.8702 High Similarity NPC1220
0.8702 High Similarity NPC291551
0.8702 High Similarity NPC469952
0.8702 High Similarity NPC241165
0.8702 High Similarity NPC222036
0.8682 High Similarity NPC168710
0.8672 High Similarity NPC243688
0.8657 High Similarity NPC307883
0.8651 High Similarity NPC315807
0.8647 High Similarity NPC160727
0.8647 High Similarity NPC55615
0.8647 High Similarity NPC149320
0.8647 High Similarity NPC177281
0.8647 High Similarity NPC476455
0.8647 High Similarity NPC128529
0.8647 High Similarity NPC283019
0.8647 High Similarity NPC471630
0.8636 High Similarity NPC131950
0.8636 High Similarity NPC213173
0.8636 High Similarity NPC307412
0.8636 High Similarity NPC55149
0.8636 High Similarity NPC224475
0.8636 High Similarity NPC180716
0.8626 High Similarity NPC123954
0.8618 High Similarity NPC152306
0.8615 High Similarity NPC32463
0.8605 High Similarity NPC199204
0.8594 High Similarity NPC188327
0.8594 High Similarity NPC234109
0.8582 High Similarity NPC131198
0.8571 High Similarity NPC469675
0.8571 High Similarity NPC229128
0.8571 High Similarity NPC472525
0.8571 High Similarity NPC61499
0.8561 High Similarity NPC31849
0.8561 High Similarity NPC472522
0.8561 High Similarity NPC469965
0.8561 High Similarity NPC54503
0.856 High Similarity NPC180006
0.856 High Similarity NPC235190
0.856 High Similarity NPC163200
0.8548 High Similarity NPC298796
0.8529 High Similarity NPC155552
0.8529 High Similarity NPC138149
0.8519 High Similarity NPC211110
0.8519 High Similarity NPC279573
0.8519 High Similarity NPC38153
0.8516 High Similarity NPC244495
0.8516 High Similarity NPC93219
0.8496 Intermediate Similarity NPC62366
0.8489 Intermediate Similarity NPC206212
0.8489 Intermediate Similarity NPC71184
0.8468 Intermediate Similarity NPC96705
0.8468 Intermediate Similarity NPC265547
0.8467 Intermediate Similarity NPC20631
0.8467 Intermediate Similarity NPC93640
0.8456 Intermediate Similarity NPC312881
0.845 Intermediate Similarity NPC101894
0.8444 Intermediate Similarity NPC153818
0.8444 Intermediate Similarity NPC232246
0.8444 Intermediate Similarity NPC155963
0.8433 Intermediate Similarity NPC472521
0.8421 Intermediate Similarity NPC472524
0.8421 Intermediate Similarity NPC55147
0.8417 Intermediate Similarity NPC71739
0.84 Intermediate Similarity NPC281356
0.8394 Intermediate Similarity NPC152771
0.8394 Intermediate Similarity NPC472523
0.8394 Intermediate Similarity NPC287286
0.8394 Intermediate Similarity NPC195357
0.8382 Intermediate Similarity NPC151946
0.8382 Intermediate Similarity NPC47040
0.8382 Intermediate Similarity NPC278600
0.8382 Intermediate Similarity NPC144512
0.8382 Intermediate Similarity NPC35501
0.8382 Intermediate Similarity NPC137262
0.8382 Intermediate Similarity NPC37428
0.8382 Intermediate Similarity NPC270256
0.837 Intermediate Similarity NPC26954
0.837 Intermediate Similarity NPC188380
0.837 Intermediate Similarity NPC224543
0.837 Intermediate Similarity NPC78746
0.837 Intermediate Similarity NPC167517
0.837 Intermediate Similarity NPC104796
0.837 Intermediate Similarity NPC38099
0.8358 Intermediate Similarity NPC204353
0.8358 Intermediate Similarity NPC326600
0.8358 Intermediate Similarity NPC98179
0.8358 Intermediate Similarity NPC50896
0.8358 Intermediate Similarity NPC253574
0.8346 Intermediate Similarity NPC194277
0.8345 Intermediate Similarity NPC251372
0.8333 Intermediate Similarity NPC113098
0.8321 Intermediate Similarity NPC71903
0.8309 Intermediate Similarity NPC294456
0.8309 Intermediate Similarity NPC212124
0.8309 Intermediate Similarity NPC184861
0.8309 Intermediate Similarity NPC281014
0.8309 Intermediate Similarity NPC225106
0.8306 Intermediate Similarity NPC128633
0.8296 Intermediate Similarity NPC33986
0.8286 Intermediate Similarity NPC108994
0.8286 Intermediate Similarity NPC469701
0.8286 Intermediate Similarity NPC106126
0.8284 Intermediate Similarity NPC163557
0.8273 Intermediate Similarity NPC119640
0.8273 Intermediate Similarity NPC183646
0.8271 Intermediate Similarity NPC472517
0.8271 Intermediate Similarity NPC272650
0.8271 Intermediate Similarity NPC29734
0.8271 Intermediate Similarity NPC267336
0.8261 Intermediate Similarity NPC279851
0.8261 Intermediate Similarity NPC472520
0.8261 Intermediate Similarity NPC170812
0.8244 Intermediate Similarity NPC224774
0.8244 Intermediate Similarity NPC258567
0.8244 Intermediate Similarity NPC121740
0.824 Intermediate Similarity NPC183154
0.824 Intermediate Similarity NPC263754
0.8231 Intermediate Similarity NPC168259
0.8214 Intermediate Similarity NPC476457
0.8214 Intermediate Similarity NPC471824
0.8209 Intermediate Similarity NPC175159
0.8203 Intermediate Similarity NPC52247
0.8203 Intermediate Similarity NPC187868
0.8201 Intermediate Similarity NPC221173
0.8195 Intermediate Similarity NPC19242
0.8182 Intermediate Similarity NPC469453

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC163248 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
0.8702 High Similarity NPD5123 Clinical (unspecified phase)
0.8702 High Similarity NPD5124 Phase 1
0.8203 Intermediate Similarity NPD422 Phase 1
0.7971 Intermediate Similarity NPD3748 Approved
0.7943 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.791 Intermediate Similarity NPD1008 Clinical (unspecified phase)
0.7794 Intermediate Similarity NPD1296 Phase 2
0.7698 Intermediate Similarity NPD5535 Approved
0.7692 Intermediate Similarity NPD3750 Approved
0.7664 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7622 Intermediate Similarity NPD1243 Approved
0.7561 Intermediate Similarity NPD9697 Approved
0.7557 Intermediate Similarity NPD5691 Approved
0.7556 Intermediate Similarity NPD3266 Approved
0.7556 Intermediate Similarity NPD3267 Approved
0.7556 Intermediate Similarity NPD2797 Approved
0.7536 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7535 Intermediate Similarity NPD2796 Approved
0.7518 Intermediate Similarity NPD4908 Phase 1
0.75 Intermediate Similarity NPD2800 Approved
0.75 Intermediate Similarity NPD920 Approved
0.75 Intermediate Similarity NPD1652 Phase 2
0.7483 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7481 Intermediate Similarity NPD3225 Approved
0.7464 Intermediate Similarity NPD4625 Phase 3
0.7434 Intermediate Similarity NPD7819 Suspended
0.7429 Intermediate Similarity NPD4307 Phase 2
0.741 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.741 Intermediate Similarity NPD3268 Approved
0.7407 Intermediate Similarity NPD4749 Approved
0.7405 Intermediate Similarity NPD7644 Approved
0.7388 Intermediate Similarity NPD1610 Phase 2
0.7368 Intermediate Similarity NPD6801 Discontinued
0.7368 Intermediate Similarity NPD4626 Approved
0.7365 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7353 Intermediate Similarity NPD8651 Approved
0.7351 Intermediate Similarity NPD6599 Discontinued
0.7348 Intermediate Similarity NPD1548 Phase 1
0.7347 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7338 Intermediate Similarity NPD7768 Phase 2
0.732 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7303 Intermediate Similarity NPD7411 Suspended
0.726 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7259 Intermediate Similarity NPD1611 Approved
0.7248 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD2799 Discontinued
0.7222 Intermediate Similarity NPD4308 Phase 3
0.7222 Intermediate Similarity NPD3134 Approved
0.7214 Intermediate Similarity NPD7095 Approved
0.7185 Intermediate Similarity NPD3496 Discontinued
0.7181 Intermediate Similarity NPD6799 Approved
0.7181 Intermediate Similarity NPD7837 Clinical (unspecified phase)
0.7179 Intermediate Similarity NPD7075 Discontinued
0.7172 Intermediate Similarity NPD6100 Approved
0.7172 Intermediate Similarity NPD6099 Approved
0.7171 Intermediate Similarity NPD8158 Clinical (unspecified phase)
0.7165 Intermediate Similarity NPD1358 Approved
0.7163 Intermediate Similarity NPD2313 Discontinued
0.7143 Intermediate Similarity NPD6832 Phase 2
0.7133 Intermediate Similarity NPD2533 Approved
0.7133 Intermediate Similarity NPD2534 Approved
0.7133 Intermediate Similarity NPD2532 Approved
0.7113 Intermediate Similarity NPD8032 Phase 2
0.7105 Intermediate Similarity NPD1653 Approved
0.7095 Intermediate Similarity NPD4628 Phase 3
0.7086 Intermediate Similarity NPD7314 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD6651 Approved
0.7075 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.707 Intermediate Similarity NPD3749 Approved
0.7063 Intermediate Similarity NPD4060 Phase 1
0.7063 Intermediate Similarity NPD4140 Approved
0.7051 Intermediate Similarity NPD4288 Approved
0.7039 Intermediate Similarity NPD5403 Approved
0.7025 Intermediate Similarity NPD919 Approved
0.7021 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.702 Intermediate Similarity NPD5401 Approved
0.7019 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.6994 Remote Similarity NPD5844 Phase 1
0.6992 Remote Similarity NPD7157 Approved
0.6986 Remote Similarity NPD7033 Discontinued
0.6986 Remote Similarity NPD1510 Phase 2
0.6985 Remote Similarity NPD1778 Approved
0.6985 Remote Similarity NPD17 Approved
0.6978 Remote Similarity NPD6696 Suspended
0.6974 Remote Similarity NPD1940 Clinical (unspecified phase)
0.6968 Remote Similarity NPD7615 Clinical (unspecified phase)
0.6959 Remote Similarity NPD1549 Phase 2
0.6957 Remote Similarity NPD9717 Approved
0.695 Remote Similarity NPD1530 Clinical (unspecified phase)
0.6943 Remote Similarity NPD3817 Phase 2
0.6943 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6939 Remote Similarity NPD2935 Discontinued
0.6939 Remote Similarity NPD1551 Phase 2
0.6923 Remote Similarity NPD1699 Clinical (unspecified phase)
0.6912 Remote Similarity NPD5585 Approved
0.6903 Remote Similarity NPD4380 Phase 2
0.6897 Remote Similarity NPD4340 Discontinued
0.6892 Remote Similarity NPD6004 Phase 3
0.6892 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6892 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6892 Remote Similarity NPD6005 Phase 3
0.6892 Remote Similarity NPD6002 Phase 3
0.6892 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6892 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6892 Remote Similarity NPD2346 Discontinued
0.6887 Remote Similarity NPD6667 Approved
0.6887 Remote Similarity NPD6666 Approved
0.6879 Remote Similarity NPD2393 Clinical (unspecified phase)
0.6875 Remote Similarity NPD5494 Approved
0.6867 Remote Similarity NPD7466 Approved
0.6867 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6867 Remote Similarity NPD7003 Approved
0.6846 Remote Similarity NPD2424 Discontinued
0.6842 Remote Similarity NPD1241 Discontinued
0.6839 Remote Similarity NPD3226 Approved
0.6835 Remote Similarity NPD5402 Approved
0.6835 Remote Similarity NPD1608 Approved
0.6828 Remote Similarity NPD1612 Clinical (unspecified phase)
0.6828 Remote Similarity NPD1613 Approved
0.6828 Remote Similarity NPD1240 Approved
0.6826 Remote Similarity NPD7549 Discontinued
0.6818 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6809 Remote Similarity NPD1203 Approved
0.6806 Remote Similarity NPD7985 Registered
0.6806 Remote Similarity NPD6798 Discontinued
0.6797 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6792 Remote Similarity NPD4868 Clinical (unspecified phase)
0.679 Remote Similarity NPD7229 Phase 3
0.6786 Remote Similarity NPD5327 Phase 3
0.6781 Remote Similarity NPD1899 Clinical (unspecified phase)
0.6781 Remote Similarity NPD6355 Discontinued
0.6772 Remote Similarity NPD1465 Phase 2
0.6761 Remote Similarity NPD1019 Discontinued
0.6761 Remote Similarity NPD2798 Approved
0.6753 Remote Similarity NPD6273 Approved
0.675 Remote Similarity NPD4381 Clinical (unspecified phase)
0.6741 Remote Similarity NPD6387 Discontinued
0.6741 Remote Similarity NPD6671 Approved
0.6735 Remote Similarity NPD1607 Approved
0.6732 Remote Similarity NPD1511 Approved
0.6718 Remote Similarity NPD2684 Approved
0.6716 Remote Similarity NPD1398 Phase 1
0.6714 Remote Similarity NPD3972 Approved
0.6713 Remote Similarity NPD3018 Phase 2
0.6713 Remote Similarity NPD2861 Phase 2
0.6711 Remote Similarity NPD4476 Approved
0.6711 Remote Similarity NPD4477 Approved
0.6692 Remote Similarity NPD1139 Approved
0.6692 Remote Similarity NPD1137 Approved
0.6691 Remote Similarity NPD7340 Approved
0.669 Remote Similarity NPD3764 Approved
0.6689 Remote Similarity NPD2200 Suspended
0.6689 Remote Similarity NPD7097 Phase 1
0.6689 Remote Similarity NPD5698 Clinical (unspecified phase)
0.6688 Remote Similarity NPD7447 Phase 1
0.6688 Remote Similarity NPD6585 Discontinued
0.6687 Remote Similarity NPD6232 Discontinued
0.6667 Remote Similarity NPD1933 Approved
0.6667 Remote Similarity NPD2801 Approved
0.6667 Remote Similarity NPD4359 Approved
0.6667 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5763 Approved
0.6667 Remote Similarity NPD5762 Approved
0.6646 Remote Similarity NPD6971 Discontinued
0.6645 Remote Similarity NPD1512 Approved
0.6645 Remote Similarity NPD5049 Phase 3
0.6643 Remote Similarity NPD1281 Approved
0.6642 Remote Similarity NPD7843 Approved
0.6642 Remote Similarity NPD1138 Approved
0.6641 Remote Similarity NPD940 Approved
0.6641 Remote Similarity NPD846 Approved
0.6626 Remote Similarity NPD7199 Phase 2
0.6626 Remote Similarity NPD8127 Discontinued
0.6626 Remote Similarity NPD6959 Discontinued
0.6624 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6624 Remote Similarity NPD7458 Discontinued
0.6623 Remote Similarity NPD7212 Phase 2
0.6623 Remote Similarity NPD7213 Phase 3
0.6621 Remote Similarity NPD3027 Phase 3
0.6607 Remote Similarity NPD5953 Discontinued
0.6604 Remote Similarity NPD1934 Approved
0.6599 Remote Similarity NPD2979 Phase 3
0.6597 Remote Similarity NPD2237 Approved
0.6596 Remote Similarity NPD2981 Phase 2
0.6594 Remote Similarity NPD1894 Discontinued
0.6593 Remote Similarity NPD5283 Phase 1
0.6587 Remote Similarity NPD7286 Phase 2
0.6587 Remote Similarity NPD7804 Clinical (unspecified phase)
0.6585 Remote Similarity NPD5710 Approved
0.6585 Remote Similarity NPD5711 Approved
0.6579 Remote Similarity NPD6674 Discontinued
0.6575 Remote Similarity NPD411 Approved
0.6573 Remote Similarity NPD987 Approved
0.6571 Remote Similarity NPD3847 Discontinued
0.6568 Remote Similarity NPD6559 Discontinued
0.6566 Remote Similarity NPD7473 Discontinued
0.6562 Remote Similarity NPD8455 Phase 2
0.6554 Remote Similarity NPD447 Suspended
0.6552 Remote Similarity NPD2614 Approved

Structure

External Identifiers

PubChem CID   174673
ChEMBL   CHEMBL154850
ZINC  

Physicochemical Properties

Molecular Weight:  380.20
ALogP:  3.947
MLogP:  3.66
XLogP:  5.539
# Rotatable Bonds:  11
Polar Surface Area:  44.76
# H-Bond Aceptor:  1
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  28

Download Data

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