Natural Product: NPC214454

Natural Product ID:  NPC214454
Common Name:   5-(2-Methylpropanoyl)-Phloroglucinol-Glucopyranoside
IUPAC Name:   1-[2,6-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2-methylpropan-1-one
Synonyms:  
Molecular Formula:   C16H22O9
Standard InCHIKey:  QOMOPCDUWZTNOZ-LMXXTMHSSA-N
Standard InCHI:  InChI=1S/C16H22O9/c1-6(2)12(20)11-8(18)3-7(4-9(11)19)24-16-15(23)14(22)13(21)10(5-17)25-16/h3-4,6,10,13-19,21-23H,5H2,1-2H3/t10-,13-,14+,15-,16-/m1/s1
Canonical SMILES:  OC[C@H]1O[C@@H](Oc2cc(O)c(c(c2)O)C(=O)C(C)C)[C@@H]([C@H]([C@@H]1O)O)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
NPO13879 Humulus lupulus Species Cannabaceae Eukaryota PMID[16252923]
NPO8928 Pteris semipinnata Species Pteridaceae Eukaryota UNPD*
NPO21830 Buddleja cordata Species Scrophulariaceae Eukaryota UNPD*
NPO5930 Crambe tatarica Species Brassicaceae Eukaryota UNPD*
NPO12700 Diospyros eriantha Species Ebenaceae Eukaryota UNPD*
NPO13030 Artemisia dentata Species Asteraceae Eukaryota UNPD*
NPO1834 Atalantia racemosa Species Rutaceae Eukaryota UNPD*
NPO13478 Scorzonera pseudodivaricata Species Asteraceae Eukaryota UNPD*
NPO24390.1 Juniperus rigida var. conferta Varieties Cupressaceae Eukaryota UNPD*
NPO12855 Alkanna cappadocica Species Boraginaceae Eukaryota UNPD*
NPO13879 Humulus lupulus Species Cannabaceae Eukaryota UNPD*
NPO9313 Fritillaria ningguoensis Species Liliaceae Eukaryota UNPD*
NPO2398 Millettia erythrocalyx Species Fabaceae Eukaryota UNPD*
NPO10783 Syncarpia hillii Species Myrtaceae Eukaryota UNPD*
NPO11848 Lemaireocereus griseus Species Cactaceae Eukaryota UNPD*
NPO6360 Xenoacremonium recifei Species Nectriaceae Eukaryota UNPD*
NPO13671 Ononis vaginalis Species Fabaceae Eukaryota UNPD*
NPO12196 Buphane fischeri NA NA NA UNPD*
NPO13585 Rapanea lancifolia Species Primulaceae Eukaryota UNPD*
NPO3492 Negombata magnifica Species Latrunculiidae Eukaryota UNPD*
NPO252 Hoffmannia strigillosa Species Rubiaceae Eukaryota UNPD*
NPO9934 Mycobacterium leprae Species Mycobacteriaceae Bacteria UNPD*
NPO13281 Salvia hispanica Species Lamiaceae Eukaryota UNPD*
NPO14578 Prorocentrum micans Species Prorocentraceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT324 Individual Protein Cyclooxygenase-1 Ovis aries IC50 = 58700 nM 16252923

  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 NPC214454 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
1.0 High Similarity NPC106025
1.0 High Similarity NPC477240
0.9931 High Similarity NPC190217
0.986 High Similarity NPC199335
0.9793 High Similarity NPC134819
0.979 High Similarity NPC23084
0.9724 High Similarity NPC191154
0.966 High Similarity NPC78021
0.966 High Similarity NPC211158
0.966 High Similarity NPC106625
0.966 High Similarity NPC87304
0.966 High Similarity NPC268950
0.966 High Similarity NPC108706
0.9595 High Similarity NPC470604
0.9595 High Similarity NPC99233
0.9595 High Similarity NPC470605
0.9595 High Similarity NPC470603
0.9592 High Similarity NPC121001
0.9592 High Similarity NPC259182
0.953 High Similarity NPC206378
0.953 High Similarity NPC127406
0.9517 High Similarity NPC218685
0.9467 High Similarity NPC23817
0.9467 High Similarity NPC6985
0.9467 High Similarity NPC43638
0.9467 High Similarity NPC470606
0.9463 High Similarity NPC39351
0.9463 High Similarity NPC72649
0.9463 High Similarity NPC169248
0.9463 High Similarity NPC95090
0.9463 High Similarity NPC97052
0.9463 High Similarity NPC26195
0.9463 High Similarity NPC27408
0.9459 High Similarity NPC88484
0.9459 High Similarity NPC259767
0.9456 High Similarity NPC213723
0.9456 High Similarity NPC38775
0.9404 High Similarity NPC73511
0.9404 High Similarity NPC470607
0.9404 High Similarity NPC308265
0.94 High Similarity NPC170475
0.9396 High Similarity NPC143851
0.9396 High Similarity NPC210003
0.9396 High Similarity NPC83283
0.9396 High Similarity NPC29763
0.9396 High Similarity NPC39360
0.9392 High Similarity NPC23253
0.9342 High Similarity NPC142860
0.9342 High Similarity NPC97285
0.9342 High Similarity NPC246469
0.9342 High Similarity NPC271270
0.9342 High Similarity NPC473623
0.9342 High Similarity NPC271479
0.9342 High Similarity NPC153342
0.9338 High Similarity NPC182634
0.9338 High Similarity NPC44931
0.9338 High Similarity NPC108831
0.9338 High Similarity NPC129827
0.9338 High Similarity NPC65003
0.9338 High Similarity NPC161749
0.9338 High Similarity NPC197896
0.9338 High Similarity NPC473512
0.9338 High Similarity NPC60966
0.9338 High Similarity NPC313163
0.9338 High Similarity NPC156457
0.9338 High Similarity NPC258035
0.9281 High Similarity NPC303913
0.9276 High Similarity NPC320283
0.9276 High Similarity NPC111929
0.9276 High Similarity NPC138811
0.9276 High Similarity NPC473634
0.9276 High Similarity NPC472459
0.9276 High Similarity NPC41121
0.9276 High Similarity NPC22062
0.9272 High Similarity NPC45165
0.9272 High Similarity NPC265480
0.9272 High Similarity NPC203500
0.9272 High Similarity NPC261866
0.9272 High Similarity NPC323593
0.9272 High Similarity NPC17521
0.9272 High Similarity NPC149368
0.9272 High Similarity NPC307938
0.9257 High Similarity NPC139966
0.9257 High Similarity NPC307052
0.9252 High Similarity NPC473133
0.9252 High Similarity NPC47388
0.9252 High Similarity NPC470670
0.9226 High Similarity NPC294722
0.9226 High Similarity NPC475979
0.9221 High Similarity NPC190450
0.9221 High Similarity NPC300537
0.9221 High Similarity NPC127782
0.9221 High Similarity NPC131745
0.9221 High Similarity NPC259834
0.9221 High Similarity NPC44947
0.9216 High Similarity NPC472320
0.9216 High Similarity NPC200708
0.9216 High Similarity NPC187379
0.9211 High Similarity NPC197304
0.9211 High Similarity NPC122809
0.9211 High Similarity NPC135391
0.9211 High Similarity NPC78263
0.9211 High Similarity NPC77672
0.9211 High Similarity NPC54802
0.9211 High Similarity NPC133671
0.9189 High Similarity NPC10097
0.9161 High Similarity NPC66087
0.9161 High Similarity NPC473644
0.9161 High Similarity NPC278419
0.9161 High Similarity NPC179198
0.9161 High Similarity NPC124155
0.9161 High Similarity NPC183672
0.9161 High Similarity NPC257566
0.9156 High Similarity NPC116458
0.9156 High Similarity NPC224530
0.9156 High Similarity NPC129217
0.9156 High Similarity NPC476215
0.9156 High Similarity NPC173582
0.9156 High Similarity NPC47923
0.9156 High Similarity NPC276377
0.9156 High Similarity NPC215710
0.9156 High Similarity NPC48093
0.9156 High Similarity NPC216496
0.9156 High Similarity NPC139320
0.9156 High Similarity NPC163242
0.9156 High Similarity NPC249281
0.9156 High Similarity NPC101636
0.9156 High Similarity NPC181465
0.9156 High Similarity NPC473438
0.9156 High Similarity NPC265885
0.9156 High Similarity NPC159579
0.9156 High Similarity NPC85707
0.9156 High Similarity NPC259957
0.9156 High Similarity NPC253788
0.9156 High Similarity NPC246943
0.915 High Similarity NPC43761
0.9145 High Similarity NPC295613
0.9145 High Similarity NPC473657
0.9122 High Similarity NPC91902
0.9097 High Similarity NPC475382
0.9097 High Similarity NPC27942
0.9097 High Similarity NPC298171
0.9097 High Similarity NPC150164
0.9097 High Similarity NPC473043
0.9097 High Similarity NPC472876
0.9097 High Similarity NPC240306
0.9091 High Similarity NPC304741
0.9091 High Similarity NPC470397
0.9091 High Similarity NPC136761
0.9091 High Similarity NPC470405
0.9091 High Similarity NPC471079
0.9085 High Similarity NPC288084
0.9048 High Similarity NPC18886
0.9045 High Similarity NPC5778
0.9045 High Similarity NPC178851
0.9045 High Similarity NPC70441
0.9045 High Similarity NPC236934
0.9038 High Similarity NPC284960
0.9038 High Similarity NPC121703
0.9038 High Similarity NPC29830
0.9038 High Similarity NPC471286
0.9038 High Similarity NPC309025
0.9038 High Similarity NPC94777
0.9038 High Similarity NPC88023
0.9038 High Similarity NPC311850
0.9038 High Similarity NPC222936
0.9038 High Similarity NPC19709
0.9038 High Similarity NPC243930
0.9032 High Similarity NPC210961
0.9032 High Similarity NPC470125
0.9032 High Similarity NPC270675
0.9032 High Similarity NPC195685
0.9032 High Similarity NPC135846
0.9032 High Similarity NPC477628
0.9032 High Similarity NPC477629
0.9032 High Similarity NPC170052
0.9032 High Similarity NPC282169
0.9032 High Similarity NPC472994
0.9032 High Similarity NPC64305
0.9032 High Similarity NPC297987
0.9026 High Similarity NPC104677
0.9007 High Similarity NPC250488
0.9 High Similarity NPC104172
0.9 High Similarity NPC88886
0.8993 High Similarity NPC211466
0.8993 High Similarity NPC40086
0.8993 High Similarity NPC176869
0.8993 High Similarity NPC302989
0.8993 High Similarity NPC3779
0.8993 High Similarity NPC44721
0.8993 High Similarity NPC476182
0.8993 High Similarity NPC122828
0.8993 High Similarity NPC85773
0.8987 High Similarity NPC229729
0.8987 High Similarity NPC477502
0.8986 High Similarity NPC474044
0.8981 High Similarity NPC139060
0.8981 High Similarity NPC135358
0.8981 High Similarity NPC7752
0.8981 High Similarity NPC72016

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC214454 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
0.9338 High Similarity NPD4381 Clinical (unspecified phase)
0.8931 High Similarity NPD7804 Clinical (unspecified phase)
0.8875 High Similarity NPD7074 Phase 3
0.8812 High Similarity NPD7054 Approved
0.8758 High Similarity NPD7472 Approved
0.875 High Similarity NPD3818 Discontinued
0.8704 High Similarity NPD6797 Phase 2
0.8693 High Similarity NPD4380 Phase 2
0.865 High Similarity NPD7251 Discontinued
0.8639 High Similarity NPD1550 Clinical (unspecified phase)
0.8639 High Similarity NPD1552 Clinical (unspecified phase)
0.8599 High Similarity NPD7075 Discontinued
0.8598 High Similarity NPD7808 Phase 3
0.8581 High Similarity NPD1934 Approved
0.8581 High Similarity NPD1549 Phase 2
0.8537 High Similarity NPD6559 Discontinued
0.8526 High Similarity NPD2393 Clinical (unspecified phase)
0.8485 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.8462 Intermediate Similarity NPD6801 Discontinued
0.8421 Intermediate Similarity NPD6799 Approved
0.8408 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.8395 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.8395 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.8395 Intermediate Similarity NPD6166 Phase 2
0.8366 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.8354 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.828 Intermediate Similarity NPD7411 Suspended
0.8231 Intermediate Similarity NPD1240 Approved
0.8217 Intermediate Similarity NPD6599 Discontinued
0.82 Intermediate Similarity NPD2796 Approved
0.8187 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.8176 Intermediate Similarity NPD2801 Approved
0.8141 Intermediate Similarity NPD5403 Approved
0.8133 Intermediate Similarity NPD1510 Phase 2
0.8129 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.8125 Intermediate Similarity NPD3817 Phase 2
0.8121 Intermediate Similarity NPD1607 Approved
0.8105 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.8092 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.8075 Intermediate Similarity NPD3882 Suspended
0.8065 Intermediate Similarity NPD1511 Approved
0.8063 Intermediate Similarity NPD7819 Suspended
0.8013 Intermediate Similarity NPD5401 Approved
0.8 Intermediate Similarity NPD6651 Approved
0.7988 Intermediate Similarity NPD6959 Discontinued
0.7962 Intermediate Similarity NPD1512 Approved
0.7922 Intermediate Similarity NPD2800 Approved
0.7901 Intermediate Similarity NPD5402 Approved
0.7871 Intermediate Similarity NPD4628 Phase 3
0.7852 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7847 Intermediate Similarity NPD1091 Approved
0.7844 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7824 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7818 Intermediate Similarity NPD5494 Approved
0.7791 Intermediate Similarity NPD8312 Approved
0.7791 Intermediate Similarity NPD8313 Approved
0.7785 Intermediate Similarity NPD2532 Approved
0.7785 Intermediate Similarity NPD2534 Approved
0.7785 Intermediate Similarity NPD2533 Approved
0.7784 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.775 Intermediate Similarity NPD1653 Approved
0.7727 Intermediate Similarity NPD1551 Phase 2
0.7717 Intermediate Similarity NPD7584 Approved
0.7692 Intermediate Similarity NPD7473 Discontinued
0.7692 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7665 Intermediate Similarity NPD7199 Phase 2
0.7643 Intermediate Similarity NPD3750 Approved
0.7636 Intermediate Similarity NPD7768 Phase 2
0.7622 Intermediate Similarity NPD8455 Phase 2
0.7619 Intermediate Similarity NPD6232 Discontinued
0.7602 Intermediate Similarity NPD5844 Phase 1
0.759 Intermediate Similarity NPD3749 Approved
0.758 Intermediate Similarity NPD1243 Approved
0.7578 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7578 Intermediate Similarity NPD920 Approved
0.7561 Intermediate Similarity NPD37 Approved
0.7545 Intermediate Similarity NPD6234 Discontinued
0.7544 Intermediate Similarity NPD3751 Discontinued
0.7544 Intermediate Similarity NPD7228 Approved
0.753 Intermediate Similarity NPD4967 Phase 2
0.753 Intermediate Similarity NPD4966 Approved
0.753 Intermediate Similarity NPD4965 Approved
0.7515 Intermediate Similarity NPD3787 Discontinued
0.7515 Intermediate Similarity NPD1465 Phase 2
0.7514 Intermediate Similarity NPD5953 Discontinued
0.75 Intermediate Similarity NPD6100 Approved
0.75 Intermediate Similarity NPD7286 Phase 2
0.75 Intermediate Similarity NPD6099 Approved
0.75 Intermediate Similarity NPD2935 Discontinued
0.7486 Intermediate Similarity NPD6777 Approved
0.7486 Intermediate Similarity NPD6779 Approved
0.7486 Intermediate Similarity NPD6782 Approved
0.7486 Intermediate Similarity NPD6778 Approved
0.7486 Intermediate Similarity NPD6780 Approved
0.7486 Intermediate Similarity NPD6776 Approved
0.7486 Intermediate Similarity NPD6781 Approved
0.7483 Intermediate Similarity NPD6832 Phase 2
0.7471 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7468 Intermediate Similarity NPD1933 Approved
0.7468 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7468 Intermediate Similarity NPD230 Phase 1
0.7468 Intermediate Similarity NPD1652 Phase 2
0.7468 Intermediate Similarity NPD5124 Phase 1
0.7453 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7447 Intermediate Similarity NPD8151 Discontinued
0.7438 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7436 Intermediate Similarity NPD2799 Discontinued
0.7436 Intermediate Similarity NPD7033 Discontinued
0.7432 Intermediate Similarity NPD9717 Approved
0.7429 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7421 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7418 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7403 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7403 Intermediate Similarity NPD1613 Approved
0.74 Intermediate Similarity NPD1203 Approved
0.7378 Intermediate Similarity NPD7458 Discontinued
0.7371 Intermediate Similarity NPD7685 Pre-registration
0.7368 Intermediate Similarity NPD4908 Phase 1
0.7366 Intermediate Similarity NPD7435 Discontinued
0.7365 Intermediate Similarity NPD422 Phase 1
0.7365 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7358 Intermediate Similarity NPD2654 Approved
0.7351 Intermediate Similarity NPD2798 Approved
0.7342 Intermediate Similarity NPD2344 Approved
0.7337 Intermediate Similarity NPD919 Approved
0.7325 Intermediate Similarity NPD3748 Approved
0.731 Intermediate Similarity NPD5710 Approved
0.731 Intermediate Similarity NPD5711 Approved
0.7308 Intermediate Similarity NPD4360 Phase 2
0.7308 Intermediate Similarity NPD4363 Phase 3
0.7302 Intermediate Similarity NPD7585 Approved
0.7296 Intermediate Similarity NPD2424 Discontinued
0.729 Intermediate Similarity NPD943 Approved
0.7289 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7284 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7277 Intermediate Similarity NPD7783 Phase 2
0.7277 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD3268 Approved
0.7273 Intermediate Similarity NPD7698 Approved
0.7273 Intermediate Similarity NPD7697 Approved
0.7273 Intermediate Similarity NPD6798 Discontinued
0.7273 Intermediate Similarity NPD7696 Phase 3
0.7267 Intermediate Similarity NPD3926 Phase 2
0.7251 Intermediate Similarity NPD1247 Approved
0.7249 Intermediate Similarity NPD7583 Approved
0.7248 Intermediate Similarity NPD1610 Phase 2
0.7244 Intermediate Similarity NPD6355 Discontinued
0.7244 Intermediate Similarity NPD447 Suspended
0.7239 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7234 Intermediate Similarity NPD7871 Phase 2
0.7234 Intermediate Similarity NPD7870 Phase 2
0.7225 Intermediate Similarity NPD2403 Approved
0.7219 Intermediate Similarity NPD6823 Phase 2
0.7213 Intermediate Similarity NPD6535 Approved
0.7213 Intermediate Similarity NPD6534 Approved
0.7211 Intermediate Similarity NPD9545 Approved
0.7211 Intermediate Similarity NPD7701 Phase 2
0.7208 Intermediate Similarity NPD3027 Phase 3
0.7207 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.719 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7188 Intermediate Similarity NPD7801 Approved
0.7182 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7175 Intermediate Similarity NPD7240 Approved
0.7171 Intermediate Similarity NPD2797 Approved
0.7169 Intermediate Similarity NPD3226 Approved
0.7167 Intermediate Similarity NPD8434 Phase 2
0.7161 Intermediate Similarity NPD2313 Discontinued
0.716 Intermediate Similarity NPD2309 Approved
0.7152 Intermediate Similarity NPD7097 Phase 1
0.7143 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7135 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7135 Intermediate Similarity NPD7874 Approved
0.7134 Intermediate Similarity NPD4661 Approved
0.7134 Intermediate Similarity NPD4662 Approved
0.7125 Intermediate Similarity NPD7266 Discontinued
0.7124 Intermediate Similarity NPD5647 Approved
0.7124 Intermediate Similarity NPD1019 Discontinued
0.7115 Intermediate Similarity NPD6233 Phase 2
0.7097 Intermediate Similarity NPD7699 Phase 2
0.7097 Intermediate Similarity NPD7700 Phase 2
0.7095 Intermediate Similarity NPD1548 Phase 1
0.7079 Intermediate Similarity NPD6104 Discontinued
0.7075 Intermediate Similarity NPD9493 Approved
0.7073 Intermediate Similarity NPD7390 Discontinued
0.7059 Intermediate Similarity NPD5353 Approved
0.7053 Intermediate Similarity NPD8320 Phase 1
0.7053 Intermediate Similarity NPD8319 Approved
0.7051 Intermediate Similarity NPD1296 Phase 2
0.7051 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7039 Intermediate Similarity NPD4749 Approved
0.7037 Intermediate Similarity NPD6674 Discontinued
0.7029 Intermediate Similarity NPD7784 Clinical (unspecified phase)
0.7025 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7019 Intermediate Similarity NPD6006 Clinical (unspecified phase)
0.7019 Intermediate Similarity NPD2346 Discontinued
0.7019 Intermediate Similarity NPD6005 Phase 3
0.7019 Intermediate Similarity NPD6004 Phase 3
0.7019 Intermediate Similarity NPD6003 Clinical (unspecified phase)
0.7019 Intermediate Similarity NPD6002 Phase 3

Structure

External Identifiers

PubChem CID   11610142
ChEMBL   CHEMBL463351
ZINC  

Physicochemical Properties

Molecular Weight:  358.13
ALogP:  -2.6573
MLogP:  2.23
XLogP:  -0.295
# Rotatable Bonds:  13
Polar Surface Area:  156.91
# H-Bond Aceptor:  6
# H-Bond Donor:  6
# Rings:  2
# Heavy Atoms:  25

Download Data

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