Natural Product: NPC191221

Natural Product ID:  NPC191221
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C15H22O6
Standard InCHIKey:  FZTKPYZYPMEOEN-LXFSFDBISA-N
Standard InCHI:  InChI=1S/C15H22O6/c1-11-8-21-10(17)7-14(6-9(16)13(11,3)19)12(2,18)4-5-15(11,14)20/h18-20H,4-8H2,1-3H3/t11-,12-,13-,14+,15-/m0/s1
Canonical SMILES:  O=C1OC[C@@]2([C@@]3([C@@](C1)(CC(=O)[C@]2(C)O)[C@@](C)(O)CC3)O)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
NPO9140 Illicium minwanense Species Schisandraceae Eukaryota PMID[12828465]
NPO31423 Illicium oligandrum Species Schisandraceae Eukaryota pericarps PMID[19159273]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT519 Cell Line SH-SY5Y Homo sapiens Activity = 2.76 % 9784173

  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 NPC191221 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
0.7957 Intermediate Similarity NPC474065
0.7872 Intermediate Similarity NPC476189
0.7835 Intermediate Similarity NPC253995
0.7835 Intermediate Similarity NPC476294
0.7835 Intermediate Similarity NPC211087
0.7789 Intermediate Similarity NPC470424
0.7766 Intermediate Similarity NPC52756
0.7745 Intermediate Similarity NPC316930
0.7727 Intermediate Similarity NPC474714
0.7708 Intermediate Similarity NPC287354
0.7708 Intermediate Similarity NPC62407
0.7692 Intermediate Similarity NPC473350
0.7692 Intermediate Similarity NPC477445
0.7677 Intermediate Similarity NPC259654
0.7677 Intermediate Similarity NPC298266
0.767 Intermediate Similarity NPC320475
0.767 Intermediate Similarity NPC321661
0.764 Intermediate Similarity NPC254123
0.7624 Intermediate Similarity NPC327093
0.7624 Intermediate Similarity NPC88469
0.7619 Intermediate Similarity NPC311102
0.7609 Intermediate Similarity NPC243746
0.7604 Intermediate Similarity NPC217567
0.7604 Intermediate Similarity NPC76136
0.7604 Intermediate Similarity NPC329713
0.7558 Intermediate Similarity NPC155441
0.7527 Intermediate Similarity NPC239938
0.7475 Intermediate Similarity NPC474724
0.7474 Intermediate Similarity NPC476296
0.7473 Intermediate Similarity NPC69953
0.7473 Intermediate Similarity NPC15091
0.7449 Intermediate Similarity NPC116683
0.7447 Intermediate Similarity NPC477614
0.7447 Intermediate Similarity NPC236459
0.7447 Intermediate Similarity NPC226491
0.7444 Intermediate Similarity NPC475743
0.7423 Intermediate Similarity NPC477495
0.7419 Intermediate Similarity NPC476717
0.7419 Intermediate Similarity NPC248216
0.7391 Intermediate Similarity NPC291310
0.7386 Intermediate Similarity NPC169389
0.7374 Intermediate Similarity NPC471241
0.7368 Intermediate Similarity NPC477440
0.7368 Intermediate Similarity NPC477443
0.7363 Intermediate Similarity NPC328007
0.7327 Intermediate Similarity NPC295276
0.7292 Intermediate Similarity NPC77756
0.7292 Intermediate Similarity NPC477442
0.7292 Intermediate Similarity NPC477433
0.7292 Intermediate Similarity NPC477444
0.729 Intermediate Similarity NPC40608
0.7283 Intermediate Similarity NPC29342
0.7283 Intermediate Similarity NPC2572
0.7283 Intermediate Similarity NPC472847
0.7283 Intermediate Similarity NPC327451
0.7282 Intermediate Similarity NPC473526
0.7282 Intermediate Similarity NPC473701
0.7282 Intermediate Similarity NPC47281
0.7282 Intermediate Similarity NPC469629
0.7273 Intermediate Similarity NPC476728
0.7234 Intermediate Similarity NPC476727
0.7234 Intermediate Similarity NPC476726
0.7234 Intermediate Similarity NPC472272
0.7222 Intermediate Similarity NPC476176
0.7212 Intermediate Similarity NPC28791
0.7212 Intermediate Similarity NPC50535
0.7204 Intermediate Similarity NPC475689
0.7204 Intermediate Similarity NPC477434
0.7204 Intermediate Similarity NPC471044
0.7204 Intermediate Similarity NPC473336
0.7191 Intermediate Similarity NPC307865
0.7188 Intermediate Similarity NPC200580
0.7188 Intermediate Similarity NPC61688
0.7184 Intermediate Similarity NPC471253
0.7176 Intermediate Similarity NPC98711
0.7172 Intermediate Similarity NPC305808
0.7172 Intermediate Similarity NPC470031
0.7159 Intermediate Similarity NPC35871
0.7159 Intermediate Similarity NPC132064
0.7159 Intermediate Similarity NPC68565
0.7157 Intermediate Similarity NPC253886
0.7157 Intermediate Similarity NPC121218
0.7143 Intermediate Similarity NPC86852
0.7143 Intermediate Similarity NPC251824
0.7128 Intermediate Similarity NPC266651
0.7128 Intermediate Similarity NPC476715
0.7128 Intermediate Similarity NPC477205
0.7115 Intermediate Similarity NPC29705
0.71 Intermediate Similarity NPC193785
0.7097 Intermediate Similarity NPC157328
0.7087 Intermediate Similarity NPC470172
0.7087 Intermediate Similarity NPC471254
0.7087 Intermediate Similarity NPC170615
0.7087 Intermediate Similarity NPC244969
0.7087 Intermediate Similarity NPC213528
0.7083 Intermediate Similarity NPC90676
0.7071 Intermediate Similarity NPC247877
0.7071 Intermediate Similarity NPC309127
0.7071 Intermediate Similarity NPC470423
0.7064 Intermediate Similarity NPC97002
0.7053 Intermediate Similarity NPC64862
0.7053 Intermediate Similarity NPC477441
0.7053 Intermediate Similarity NPC120395
0.7053 Intermediate Similarity NPC131365
0.7048 Intermediate Similarity NPC37600
0.7045 Intermediate Similarity NPC55508
0.7045 Intermediate Similarity NPC215030
0.7045 Intermediate Similarity NPC475458
0.7041 Intermediate Similarity NPC216137
0.7033 Intermediate Similarity NPC201276
0.7033 Intermediate Similarity NPC80891
0.7033 Intermediate Similarity NPC472310
0.7021 Intermediate Similarity NPC473299
0.7021 Intermediate Similarity NPC79308
0.7021 Intermediate Similarity NPC50438
0.7019 Intermediate Similarity NPC473406
0.7 Intermediate Similarity NPC214030
0.7 Intermediate Similarity NPC83108
0.7 Intermediate Similarity NPC143250
0.7 Intermediate Similarity NPC470116
0.7 Intermediate Similarity NPC17336
0.7 Intermediate Similarity NPC470115
0.699 Remote Similarity NPC477052
0.699 Remote Similarity NPC477051
0.699 Remote Similarity NPC474053
0.699 Remote Similarity NPC477053
0.699 Remote Similarity NPC304624
0.6989 Remote Similarity NPC61107
0.6989 Remote Similarity NPC30583
0.6989 Remote Similarity NPC289486
0.6989 Remote Similarity NPC102156
0.6989 Remote Similarity NPC148740
0.6979 Remote Similarity NPC5943
0.6979 Remote Similarity NPC470920
0.697 Remote Similarity NPC161035
0.6966 Remote Similarity NPC472311
0.6961 Remote Similarity NPC38296
0.6961 Remote Similarity NPC28864
0.6961 Remote Similarity NPC89099
0.6961 Remote Similarity NPC98837
0.6961 Remote Similarity NPC20479
0.6961 Remote Similarity NPC162459
0.6961 Remote Similarity NPC38471
0.6957 Remote Similarity NPC472853
0.6957 Remote Similarity NPC134227
0.6957 Remote Similarity NPC125366
0.6952 Remote Similarity NPC84928
0.6952 Remote Similarity NPC100078
0.6937 Remote Similarity NPC475490
0.6923 Remote Similarity NPC224802
0.6923 Remote Similarity NPC471045
0.6923 Remote Similarity NPC324700
0.6923 Remote Similarity NPC80089
0.6923 Remote Similarity NPC171426
0.6923 Remote Similarity NPC34046
0.6923 Remote Similarity NPC22388
0.6923 Remote Similarity NPC477054
0.6916 Remote Similarity NPC469508
0.6915 Remote Similarity NPC476721
0.6907 Remote Similarity NPC476435
0.6907 Remote Similarity NPC471221
0.69 Remote Similarity NPC206878
0.6893 Remote Similarity NPC293866
0.6893 Remote Similarity NPC108371
0.6887 Remote Similarity NPC166079
0.6887 Remote Similarity NPC295366
0.6887 Remote Similarity NPC306776
0.6887 Remote Similarity NPC196528
0.6882 Remote Similarity NPC58631
0.6882 Remote Similarity NPC469745
0.6882 Remote Similarity NPC328639
0.6882 Remote Similarity NPC329490
0.6881 Remote Similarity NPC472003
0.6875 Remote Similarity NPC92139
0.6875 Remote Similarity NPC302111
0.6875 Remote Similarity NPC83242
0.6875 Remote Similarity NPC472745
0.6863 Remote Similarity NPC10864
0.6863 Remote Similarity NPC190080
0.6863 Remote Similarity NPC111187
0.6857 Remote Similarity NPC216114
0.6857 Remote Similarity NPC469985
0.6857 Remote Similarity NPC266
0.6852 Remote Similarity NPC227879
0.6852 Remote Similarity NPC208333
0.6848 Remote Similarity NPC320144
0.6847 Remote Similarity NPC300051
0.6842 Remote Similarity NPC319909
0.6837 Remote Similarity NPC24705
0.6837 Remote Similarity NPC56962
0.6837 Remote Similarity NPC67653
0.6837 Remote Similarity NPC471459
0.6832 Remote Similarity NPC205173
0.6832 Remote Similarity NPC470191
0.6827 Remote Similarity NPC46848
0.6827 Remote Similarity NPC178853
0.6822 Remote Similarity NPC201908
0.6822 Remote Similarity NPC176949
0.6822 Remote Similarity NPC203974
0.6818 Remote Similarity NPC280782

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC191221 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
0.7857 Intermediate Similarity NPD1700 Approved
0.7159 Intermediate Similarity NPD3702 Approved
0.6923 Remote Similarity NPD6697 Approved
0.6923 Remote Similarity NPD6118 Approved
0.6923 Remote Similarity NPD6115 Approved
0.6923 Remote Similarity NPD6114 Approved
0.6813 Remote Similarity NPD6116 Phase 1
0.6796 Remote Similarity NPD5696 Approved
0.6729 Remote Similarity NPD6402 Approved
0.6729 Remote Similarity NPD7128 Approved
0.6729 Remote Similarity NPD5739 Approved
0.6729 Remote Similarity NPD6675 Approved
0.6703 Remote Similarity NPD6117 Approved
0.6697 Remote Similarity NPD6372 Approved
0.6697 Remote Similarity NPD6373 Approved
0.6667 Remote Similarity NPD5697 Approved
0.6667 Remote Similarity NPD5701 Approved
0.6629 Remote Similarity NPD6081 Approved
0.6606 Remote Similarity NPD7320 Approved
0.6606 Remote Similarity NPD6899 Approved
0.6606 Remote Similarity NPD6881 Approved
0.6593 Remote Similarity NPD3703 Phase 2
0.6577 Remote Similarity NPD6650 Approved
0.6577 Remote Similarity NPD6649 Approved
0.6545 Remote Similarity NPD6012 Approved
0.6545 Remote Similarity NPD6013 Approved
0.6545 Remote Similarity NPD6014 Approved
0.6526 Remote Similarity NPD1780 Approved
0.6526 Remote Similarity NPD1779 Approved
0.6505 Remote Similarity NPD5695 Phase 3
0.6486 Remote Similarity NPD7102 Approved
0.6486 Remote Similarity NPD7290 Approved
0.6486 Remote Similarity NPD6883 Approved
0.6484 Remote Similarity NPD6113 Clinical (unspecified phase)
0.646 Remote Similarity NPD4632 Approved
0.6455 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6455 Remote Similarity NPD6011 Approved
0.6444 Remote Similarity NPD5777 Approved
0.6429 Remote Similarity NPD6617 Approved
0.6429 Remote Similarity NPD8130 Phase 1
0.6429 Remote Similarity NPD6869 Approved
0.6429 Remote Similarity NPD6847 Approved
0.6422 Remote Similarity NPD6008 Approved
0.641 Remote Similarity NPD6319 Approved
0.6381 Remote Similarity NPD4755 Approved
0.6381 Remote Similarity NPD6083 Phase 2
0.6381 Remote Similarity NPD6084 Phase 2
0.6373 Remote Similarity NPD8034 Phase 2
0.6373 Remote Similarity NPD8035 Phase 2
0.6372 Remote Similarity NPD8297 Approved
0.6372 Remote Similarity NPD6882 Approved
0.6333 Remote Similarity NPD4789 Approved
0.633 Remote Similarity NPD8170 Clinical (unspecified phase)
0.633 Remote Similarity NPD4057 Clinical (unspecified phase)
0.633 Remote Similarity NPD4056 Clinical (unspecified phase)
0.6322 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6293 Remote Similarity NPD6009 Approved
0.6292 Remote Similarity NPD5361 Clinical (unspecified phase)
0.6292 Remote Similarity NPD5360 Phase 3
0.6283 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6264 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6264 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6262 Remote Similarity NPD5286 Approved
0.6262 Remote Similarity NPD5285 Approved
0.6262 Remote Similarity NPD4700 Approved
0.6262 Remote Similarity NPD4696 Approved
0.625 Remote Similarity NPD4224 Phase 2
0.6224 Remote Similarity NPD3669 Approved
0.6224 Remote Similarity NPD3670 Clinical (unspecified phase)
0.6222 Remote Similarity NPD3698 Phase 2
0.6222 Remote Similarity NPD3700 Clinical (unspecified phase)
0.6222 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6218 Remote Similarity NPD5983 Phase 2
0.6211 Remote Similarity NPD4802 Phase 2
0.6211 Remote Similarity NPD4238 Approved
0.6207 Remote Similarity NPD6274 Approved
0.6198 Remote Similarity NPD7492 Approved
0.619 Remote Similarity NPD5210 Approved
0.619 Remote Similarity NPD4629 Approved
0.6154 Remote Similarity NPD4244 Approved
0.6154 Remote Similarity NPD6399 Phase 3
0.6154 Remote Similarity NPD4245 Approved
0.6148 Remote Similarity NPD6616 Approved
0.6147 Remote Similarity NPD5225 Approved
0.6147 Remote Similarity NPD5226 Approved
0.6147 Remote Similarity NPD4633 Approved
0.6147 Remote Similarity NPD5224 Approved
0.6147 Remote Similarity NPD5211 Phase 2
0.6134 Remote Similarity NPD6059 Approved
0.6134 Remote Similarity NPD6054 Approved
0.6116 Remote Similarity NPD7604 Phase 2
0.6098 Remote Similarity NPD7078 Approved
0.6098 Remote Similarity NPD8293 Discontinued
0.6091 Remote Similarity NPD5174 Approved
0.6091 Remote Similarity NPD5175 Approved
0.6087 Remote Similarity NPD4758 Discontinued
0.6083 Remote Similarity NPD6016 Approved
0.6083 Remote Similarity NPD6015 Approved
0.6055 Remote Similarity NPD5223 Approved
0.6053 Remote Similarity NPD4634 Approved
0.605 Remote Similarity NPD7101 Approved
0.605 Remote Similarity NPD7100 Approved
0.6048 Remote Similarity NPD7736 Approved
0.6036 Remote Similarity NPD5141 Approved
0.6033 Remote Similarity NPD6370 Approved
0.6033 Remote Similarity NPD5988 Approved
0.6019 Remote Similarity NPD4753 Phase 2
0.6017 Remote Similarity NPD6317 Approved
0.6016 Remote Similarity NPD6336 Discontinued
0.5982 Remote Similarity NPD4767 Approved
0.5982 Remote Similarity NPD4768 Approved
0.5966 Remote Similarity NPD6313 Approved
0.5966 Remote Similarity NPD6314 Approved
0.5966 Remote Similarity NPD6335 Approved
0.595 Remote Similarity NPD6291 Clinical (unspecified phase)
0.595 Remote Similarity NPD6909 Approved
0.595 Remote Similarity NPD6908 Approved
0.5948 Remote Similarity NPD6053 Discontinued
0.5946 Remote Similarity NPD4754 Approved
0.5941 Remote Similarity NPD7520 Clinical (unspecified phase)
0.5934 Remote Similarity NPD229 Approved
0.5918 Remote Similarity NPD6928 Phase 2
0.5913 Remote Similarity NPD5955 Clinical (unspecified phase)
0.5905 Remote Similarity NPD5284 Approved
0.5905 Remote Similarity NPD5281 Approved
0.5888 Remote Similarity NPD6356 Clinical (unspecified phase)
0.5882 Remote Similarity NPD6098 Approved
0.5877 Remote Similarity NPD5128 Approved
0.5877 Remote Similarity NPD4730 Approved
0.5877 Remote Similarity NPD4729 Approved
0.5876 Remote Similarity NPD5364 Discontinued
0.5872 Remote Similarity NPD7638 Approved
0.5865 Remote Similarity NPD6904 Approved
0.5865 Remote Similarity NPD6080 Approved
0.5865 Remote Similarity NPD6673 Approved
0.5849 Remote Similarity NPD4202 Approved
0.5833 Remote Similarity NPD4697 Phase 3
0.5826 Remote Similarity NPD4061 Clinical (unspecified phase)
0.582 Remote Similarity NPD6921 Approved
0.5818 Remote Similarity NPD7640 Approved
0.5818 Remote Similarity NPD7639 Approved
0.581 Remote Similarity NPD5692 Phase 3
0.58 Remote Similarity NPD6435 Approved
0.5776 Remote Similarity NPD5251 Approved
0.5776 Remote Similarity NPD5249 Phase 3
0.5776 Remote Similarity NPD5248 Approved
0.5776 Remote Similarity NPD5247 Approved
0.5776 Remote Similarity NPD5250 Approved
0.5769 Remote Similarity NPD6672 Approved
0.5769 Remote Similarity NPD5737 Approved
0.5763 Remote Similarity NPD8133 Approved
0.576 Remote Similarity NPD7507 Approved
0.5755 Remote Similarity NPD5693 Phase 1
0.5755 Remote Similarity NPD5694 Approved
0.5755 Remote Similarity NPD6050 Approved
0.5748 Remote Similarity NPD7319 Approved
0.5747 Remote Similarity NPD3198 Approved
0.5743 Remote Similarity NPD4788 Approved
0.5726 Remote Similarity NPD5217 Approved
0.5726 Remote Similarity NPD5215 Approved
0.5726 Remote Similarity NPD5216 Approved
0.5714 Remote Similarity NPD615 Clinical (unspecified phase)
0.5714 Remote Similarity NPD3671 Phase 1
0.5714 Remote Similarity NPD7632 Discontinued
0.5699 Remote Similarity NPD4267 Clinical (unspecified phase)
0.569 Remote Similarity NPD8132 Clinical (unspecified phase)
0.5688 Remote Similarity NPD5221 Approved
0.5688 Remote Similarity NPD5220 Clinical (unspecified phase)
0.5688 Remote Similarity NPD5222 Approved
0.5686 Remote Similarity NPD4197 Approved
0.5676 Remote Similarity NPD8418 Phase 2
0.5669 Remote Similarity NPD6033 Approved
0.5652 Remote Similarity NPD5954 Clinical (unspecified phase)
0.5652 Remote Similarity NPD6412 Phase 2
0.5648 Remote Similarity NPD6001 Approved
0.5641 Remote Similarity NPD5169 Approved
0.5641 Remote Similarity NPD5134 Clinical (unspecified phase)
0.5641 Remote Similarity NPD5135 Approved
0.5636 Remote Similarity NPD5173 Approved
0.5636 Remote Similarity NPD7902 Approved
0.5631 Remote Similarity NPD5329 Approved
0.5625 Remote Similarity NPD1811 Approved
0.5625 Remote Similarity NPD1810 Approved
0.562 Remote Similarity NPD8295 Clinical (unspecified phase)
0.56 Remote Similarity NPD5368 Approved

Structure

External Identifiers

PubChem CID   16053028
ChEMBL   CHEMBL509506
ZINC  

Physicochemical Properties

Molecular Weight:  298.14
ALogP:  -1.2167
MLogP:  2.45
XLogP:  -0.535
# Rotatable Bonds:  6
Polar Surface Area:  104.06
# H-Bond Aceptor:  6
# H-Bond Donor:  3
# Rings:  3
# Heavy Atoms:  21

Download Data

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