Natural Product: NPC253995

Natural Product ID:  NPC253995
Common Name:   Neomajucin
IUPAC Name:  
Synonyms:   Neomajucin
Molecular Formula:   C15H20O7
Standard InCHIKey:  BKIWFOHCRIPCJO-GZBKFDHQSA-N
Standard InCHI:  InChI=1S/C15H20O7/c1-7-3-4-14(19)12(2)6-21-11(18)15(12,20)8-5-13(7,14)9(16)10(17)22-8/h7-9,16,19-20H,3-6H2,1-2H3/t7-,8-,9+,12+,13-,14+,15-/m1/s1
Canonical SMILES:  O=C1O[C@@H]2C[C@]3([C@H]1O)[C@H](C)CC[C@@]3([C@]1([C@]2(O)C(=O)OC1)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
NPO31423 Illicium oligandrum Species Schisandraceae Eukaryota Stem barks PMID[19496609]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Activity = 22.4 % 11575962

  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 NPC253995 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
0.9368 High Similarity NPC298266
0.9368 High Similarity NPC259654
0.8763 High Similarity NPC211087
0.875 High Similarity NPC116683
0.86 High Similarity NPC471253
0.8571 High Similarity NPC291310
0.8515 High Similarity NPC88469
0.85 High Similarity NPC471254
0.8491 Intermediate Similarity NPC470115
0.8491 Intermediate Similarity NPC470116
0.8416 Intermediate Similarity NPC473406
0.8351 Intermediate Similarity NPC470424
0.8333 Intermediate Similarity NPC474065
0.8317 Intermediate Similarity NPC470172
0.8283 Intermediate Similarity NPC471241
0.8241 Intermediate Similarity NPC475490
0.8211 Intermediate Similarity NPC476435
0.8211 Intermediate Similarity NPC471221
0.8155 Intermediate Similarity NPC473701
0.8155 Intermediate Similarity NPC100078
0.8155 Intermediate Similarity NPC473526
0.8144 Intermediate Similarity NPC216137
0.8125 Intermediate Similarity NPC200580
0.8125 Intermediate Similarity NPC477440
0.8125 Intermediate Similarity NPC477443
0.8085 Intermediate Similarity NPC473350
0.8081 Intermediate Similarity NPC62407
0.8081 Intermediate Similarity NPC287354
0.8081 Intermediate Similarity NPC17336
0.8077 Intermediate Similarity NPC166079
0.8061 Intermediate Similarity NPC476189
0.8056 Intermediate Similarity NPC97002
0.8041 Intermediate Similarity NPC477442
0.8041 Intermediate Similarity NPC477433
0.8041 Intermediate Similarity NPC477444
0.8039 Intermediate Similarity NPC178853
0.8037 Intermediate Similarity NPC473062
0.8 Intermediate Similarity NPC179429
0.8 Intermediate Similarity NPC193785
0.8 Intermediate Similarity NPC474215
0.8 Intermediate Similarity NPC476728
0.8 Intermediate Similarity NPC475729
0.7982 Intermediate Similarity NPC79193
0.7981 Intermediate Similarity NPC470167
0.798 Intermediate Similarity NPC477495
0.798 Intermediate Similarity NPC309127
0.798 Intermediate Similarity NPC329713
0.798 Intermediate Similarity NPC247877
0.798 Intermediate Similarity NPC217567
0.798 Intermediate Similarity NPC206878
0.798 Intermediate Similarity NPC76136
0.7961 Intermediate Similarity NPC213528
0.7961 Intermediate Similarity NPC244969
0.7946 Intermediate Similarity NPC472004
0.7938 Intermediate Similarity NPC61688
0.7917 Intermediate Similarity NPC239938
0.7905 Intermediate Similarity NPC306776
0.7895 Intermediate Similarity NPC478111
0.7885 Intermediate Similarity NPC107385
0.7872 Intermediate Similarity NPC15091
0.787 Intermediate Similarity NPC472003
0.7835 Intermediate Similarity NPC477614
0.7835 Intermediate Similarity NPC191221
0.7835 Intermediate Similarity NPC226491
0.7818 Intermediate Similarity NPC300051
0.7812 Intermediate Similarity NPC472272
0.781 Intermediate Similarity NPC327093
0.7798 Intermediate Similarity NPC477489
0.7789 Intermediate Similarity NPC477434
0.7789 Intermediate Similarity NPC65133
0.7757 Intermediate Similarity NPC289702
0.7757 Intermediate Similarity NPC208461
0.7755 Intermediate Similarity NPC56962
0.7755 Intermediate Similarity NPC24705
0.7732 Intermediate Similarity NPC263802
0.7732 Intermediate Similarity NPC470920
0.7732 Intermediate Similarity NPC5943
0.7723 Intermediate Similarity NPC305808
0.7708 Intermediate Similarity NPC477445
0.7708 Intermediate Similarity NPC477205
0.7708 Intermediate Similarity NPC266651
0.7706 Intermediate Similarity NPC469824
0.7692 Intermediate Similarity NPC39683
0.7684 Intermediate Similarity NPC69953
0.7677 Intermediate Similarity NPC470114
0.7677 Intermediate Similarity NPC77756
0.767 Intermediate Similarity NPC476294
0.767 Intermediate Similarity NPC472144
0.7664 Intermediate Similarity NPC203974
0.766 Intermediate Similarity NPC475743
0.766 Intermediate Similarity NPC254123
0.766 Intermediate Similarity NPC470156
0.7653 Intermediate Similarity NPC476379
0.7647 Intermediate Similarity NPC475785
0.7647 Intermediate Similarity NPC235109
0.7647 Intermediate Similarity NPC477264
0.7632 Intermediate Similarity NPC142882
0.7629 Intermediate Similarity NPC155531
0.7629 Intermediate Similarity NPC80700
0.7629 Intermediate Similarity NPC131365
0.7629 Intermediate Similarity NPC476717
0.7629 Intermediate Similarity NPC215968
0.7629 Intermediate Similarity NPC476726
0.7629 Intermediate Similarity NPC476727
0.7629 Intermediate Similarity NPC477441
0.7629 Intermediate Similarity NPC92139
0.7624 Intermediate Similarity NPC470423
0.7609 Intermediate Similarity NPC83108
0.7609 Intermediate Similarity NPC214030
0.7609 Intermediate Similarity NPC307865
0.7604 Intermediate Similarity NPC79308
0.7604 Intermediate Similarity NPC475689
0.7596 Intermediate Similarity NPC108371
0.7593 Intermediate Similarity NPC112895
0.7593 Intermediate Similarity NPC231278
0.7593 Intermediate Similarity NPC218123
0.7586 Intermediate Similarity NPC43252
0.7586 Intermediate Similarity NPC471392
0.7586 Intermediate Similarity NPC135038
0.7579 Intermediate Similarity NPC242771
0.7579 Intermediate Similarity NPC100366
0.7579 Intermediate Similarity NPC311642
0.7579 Intermediate Similarity NPC477446
0.7579 Intermediate Similarity NPC477447
0.7579 Intermediate Similarity NPC164289
0.7579 Intermediate Similarity NPC470155
0.7573 Intermediate Similarity NPC472273
0.7573 Intermediate Similarity NPC472145
0.7568 Intermediate Similarity NPC94509
0.7553 Intermediate Similarity NPC125366
0.7553 Intermediate Similarity NPC134227
0.7549 Intermediate Similarity NPC82633
0.7549 Intermediate Similarity NPC470031
0.7547 Intermediate Similarity NPC72842
0.7545 Intermediate Similarity NPC94650
0.7545 Intermediate Similarity NPC157476
0.7545 Intermediate Similarity NPC56025
0.7545 Intermediate Similarity NPC29505
0.7526 Intermediate Similarity NPC476715
0.7525 Intermediate Similarity NPC161035
0.7525 Intermediate Similarity NPC122083
0.7525 Intermediate Similarity NPC474379
0.7525 Intermediate Similarity NPC211845
0.7525 Intermediate Similarity NPC256104
0.7525 Intermediate Similarity NPC182740
0.7523 Intermediate Similarity NPC228190
0.7523 Intermediate Similarity NPC227879
0.7523 Intermediate Similarity NPC208333
0.7523 Intermediate Similarity NPC236753
0.7522 Intermediate Similarity NPC122033
0.7522 Intermediate Similarity NPC470775
0.7522 Intermediate Similarity NPC97908
0.7522 Intermediate Similarity NPC470854
0.7522 Intermediate Similarity NPC287343
0.7522 Intermediate Similarity NPC474654
0.7522 Intermediate Similarity NPC176513
0.7521 Intermediate Similarity NPC473255
0.75 Intermediate Similarity NPC65858
0.75 Intermediate Similarity NPC166993
0.75 Intermediate Similarity NPC476296
0.75 Intermediate Similarity NPC157328
0.75 Intermediate Similarity NPC323821
0.75 Intermediate Similarity NPC268238
0.75 Intermediate Similarity NPC472146
0.75 Intermediate Similarity NPC299849
0.75 Intermediate Similarity NPC143268
0.75 Intermediate Similarity NPC45218
0.75 Intermediate Similarity NPC227170
0.75 Intermediate Similarity NPC185529
0.75 Intermediate Similarity NPC178289
0.75 Intermediate Similarity NPC222688
0.7477 Intermediate Similarity NPC477492
0.7477 Intermediate Similarity NPC473397
0.7476 Intermediate Similarity NPC163685
0.7476 Intermediate Similarity NPC475765
0.7475 Intermediate Similarity NPC56777
0.7475 Intermediate Similarity NPC201607
0.7474 Intermediate Similarity NPC470154
0.7473 Intermediate Similarity NPC477867
0.7455 Intermediate Similarity NPC85391
0.7455 Intermediate Similarity NPC124053
0.7455 Intermediate Similarity NPC471093
0.7455 Intermediate Similarity NPC255655
0.7449 Intermediate Similarity NPC114378
0.7449 Intermediate Similarity NPC477283
0.7449 Intermediate Similarity NPC103782
0.7449 Intermediate Similarity NPC302111
0.7436 Intermediate Similarity NPC267822
0.7434 Intermediate Similarity NPC213084
0.7434 Intermediate Similarity NPC207217
0.7434 Intermediate Similarity NPC89929
0.7434 Intermediate Similarity NPC190185
0.7434 Intermediate Similarity NPC173686
0.7434 Intermediate Similarity NPC16081
0.7431 Intermediate Similarity NPC469826
0.7431 Intermediate Similarity NPC316930
0.7431 Intermediate Similarity NPC471094
0.7431 Intermediate Similarity NPC469984
0.7431 Intermediate Similarity NPC473410
0.7431 Intermediate Similarity NPC273155

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC253995 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
0.8969 High Similarity NPD1700 Approved
0.7757 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7315 Intermediate Similarity NPD8170 Clinical (unspecified phase)
0.7179 Intermediate Similarity NPD6319 Approved
0.7156 Intermediate Similarity NPD4056 Clinical (unspecified phase)
0.7156 Intermediate Similarity NPD4057 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD7492 Approved
0.7034 Intermediate Similarity NPD6059 Approved
0.7034 Intermediate Similarity NPD6054 Approved
0.7025 Intermediate Similarity NPD6616 Approved
0.7021 Intermediate Similarity NPD3702 Approved
0.6979 Remote Similarity NPD6118 Approved
0.6979 Remote Similarity NPD6114 Approved
0.6979 Remote Similarity NPD6115 Approved
0.6979 Remote Similarity NPD6697 Approved
0.6975 Remote Similarity NPD6015 Approved
0.6975 Remote Similarity NPD6016 Approved
0.6975 Remote Similarity NPD6921 Approved
0.6967 Remote Similarity NPD7078 Approved
0.6967 Remote Similarity NPD8293 Discontinued
0.6957 Remote Similarity NPD4632 Approved
0.6917 Remote Similarity NPD5988 Approved
0.6917 Remote Similarity NPD6370 Approved
0.6911 Remote Similarity NPD7736 Approved
0.6875 Remote Similarity NPD6116 Phase 1
0.6855 Remote Similarity NPD7319 Approved
0.6814 Remote Similarity NPD7320 Approved
0.6786 Remote Similarity NPD5739 Approved
0.6786 Remote Similarity NPD7128 Approved
0.6786 Remote Similarity NPD6675 Approved
0.6786 Remote Similarity NPD6402 Approved
0.6771 Remote Similarity NPD6117 Approved
0.6754 Remote Similarity NPD6373 Approved
0.6754 Remote Similarity NPD6372 Approved
0.6726 Remote Similarity NPD5701 Approved
0.6726 Remote Similarity NPD5697 Approved
0.6724 Remote Similarity NPD8297 Approved
0.6696 Remote Similarity NPD4634 Approved
0.6667 Remote Similarity NPD6899 Approved
0.6667 Remote Similarity NPD6881 Approved
0.6667 Remote Similarity NPD3703 Phase 2
0.6639 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6639 Remote Similarity NPD6009 Approved
0.6638 Remote Similarity NPD6649 Approved
0.6638 Remote Similarity NPD6650 Approved
0.6637 Remote Similarity NPD6008 Approved
0.6613 Remote Similarity NPD7507 Approved
0.6609 Remote Similarity NPD6014 Approved
0.6609 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6609 Remote Similarity NPD6013 Approved
0.6609 Remote Similarity NPD6012 Approved
0.6562 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6557 Remote Similarity NPD5983 Phase 2
0.6552 Remote Similarity NPD7102 Approved
0.6552 Remote Similarity NPD7290 Approved
0.6552 Remote Similarity NPD6883 Approved
0.6542 Remote Similarity NPD8171 Discontinued
0.6522 Remote Similarity NPD6011 Approved
0.6508 Remote Similarity NPD6033 Approved
0.65 Remote Similarity NPD6928 Phase 2
0.6496 Remote Similarity NPD6617 Approved
0.6496 Remote Similarity NPD8130 Phase 1
0.6496 Remote Similarity NPD6869 Approved
0.6496 Remote Similarity NPD6847 Approved
0.6484 Remote Similarity NPD371 Approved
0.6455 Remote Similarity NPD4755 Approved
0.6452 Remote Similarity NPD7604 Phase 2
0.6441 Remote Similarity NPD6882 Approved
0.6436 Remote Similarity NPD1779 Approved
0.6436 Remote Similarity NPD1780 Approved
0.641 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6393 Remote Similarity NPD7516 Approved
0.6387 Remote Similarity NPD8133 Approved
0.6356 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6349 Remote Similarity NPD6336 Discontinued
0.6339 Remote Similarity NPD4696 Approved
0.6339 Remote Similarity NPD4700 Approved
0.6339 Remote Similarity NPD5285 Approved
0.6339 Remote Similarity NPD5286 Approved
0.6325 Remote Similarity NPD8132 Clinical (unspecified phase)
0.632 Remote Similarity NPD8328 Phase 3
0.6311 Remote Similarity NPD7328 Approved
0.6311 Remote Similarity NPD7327 Approved
0.63 Remote Similarity NPD4802 Phase 2
0.63 Remote Similarity NPD4238 Approved
0.6296 Remote Similarity NPD8035 Phase 2
0.6296 Remote Similarity NPD8034 Phase 2
0.629 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6281 Remote Similarity NPD6274 Approved
0.6228 Remote Similarity NPD5224 Approved
0.6228 Remote Similarity NPD4633 Approved
0.6228 Remote Similarity NPD5225 Approved
0.6228 Remote Similarity NPD5211 Phase 2
0.6228 Remote Similarity NPD5226 Approved
0.6211 Remote Similarity NPD229 Approved
0.6186 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6186 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6186 Remote Similarity NPD5777 Approved
0.6174 Remote Similarity NPD5175 Approved
0.6174 Remote Similarity NPD5174 Approved
0.6161 Remote Similarity NPD6084 Phase 2
0.6161 Remote Similarity NPD6083 Phase 2
0.6154 Remote Similarity NPD3669 Approved
0.6154 Remote Similarity NPD6412 Phase 2
0.6154 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6154 Remote Similarity NPD3670 Clinical (unspecified phase)
0.6148 Remote Similarity NPD6940 Discontinued
0.6146 Remote Similarity NPD4267 Clinical (unspecified phase)
0.6146 Remote Similarity NPD3700 Clinical (unspecified phase)
0.6146 Remote Similarity NPD3698 Phase 2
0.6146 Remote Similarity NPD3699 Clinical (unspecified phase)
0.614 Remote Similarity NPD5223 Approved
0.6129 Remote Similarity NPD7100 Approved
0.6129 Remote Similarity NPD7101 Approved
0.6126 Remote Similarity NPD5695 Phase 3
0.6121 Remote Similarity NPD5141 Approved
0.6106 Remote Similarity NPD5696 Approved
0.6098 Remote Similarity NPD7115 Discovery
0.6098 Remote Similarity NPD6317 Approved
0.6082 Remote Similarity NPD4244 Approved
0.6082 Remote Similarity NPD7532 Clinical (unspecified phase)
0.6082 Remote Similarity NPD4245 Approved
0.6082 Remote Similarity NPD4789 Approved
0.6068 Remote Similarity NPD4767 Approved
0.6068 Remote Similarity NPD4768 Approved
0.6064 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6048 Remote Similarity NPD6314 Approved
0.6048 Remote Similarity NPD6313 Approved
0.6048 Remote Similarity NPD6335 Approved
0.6038 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6034 Remote Similarity NPD4754 Approved
0.6032 Remote Similarity NPD8378 Approved
0.6032 Remote Similarity NPD6909 Approved
0.6032 Remote Similarity NPD6908 Approved
0.6032 Remote Similarity NPD8296 Approved
0.6032 Remote Similarity NPD8380 Approved
0.6032 Remote Similarity NPD8335 Approved
0.6032 Remote Similarity NPD8379 Approved
0.6017 Remote Similarity NPD7899 Clinical (unspecified phase)
0.5966 Remote Similarity NPD4730 Approved
0.5966 Remote Similarity NPD4729 Approved
0.5966 Remote Similarity NPD5128 Approved
0.5965 Remote Similarity NPD4225 Approved
0.5965 Remote Similarity NPD7638 Approved
0.5952 Remote Similarity NPD8294 Approved
0.5952 Remote Similarity NPD8377 Approved
0.5946 Remote Similarity NPD6399 Phase 3
0.5929 Remote Similarity NPD4697 Phase 3
0.5913 Remote Similarity NPD7640 Approved
0.5913 Remote Similarity NPD7639 Approved
0.5909 Remote Similarity NPD5956 Approved
0.5906 Remote Similarity NPD8033 Approved
0.5902 Remote Similarity NPD6053 Discontinued
0.5895 Remote Similarity NPD9496 Clinical (unspecified phase)
0.5893 Remote Similarity NPD5282 Discontinued
0.5876 Remote Similarity NPD5360 Phase 3
0.5876 Remote Similarity NPD5361 Clinical (unspecified phase)
0.5868 Remote Similarity NPD5247 Approved
0.5868 Remote Similarity NPD5249 Phase 3
0.5868 Remote Similarity NPD5251 Approved
0.5868 Remote Similarity NPD5248 Approved
0.5868 Remote Similarity NPD5250 Approved
0.5859 Remote Similarity NPD6081 Approved
0.5841 Remote Similarity NPD6356 Clinical (unspecified phase)
0.5839 Remote Similarity NPD6334 Approved
0.5839 Remote Similarity NPD6333 Approved
0.5833 Remote Similarity NPD4224 Phase 2
0.5824 Remote Similarity NPD8959 Approved
0.582 Remote Similarity NPD5217 Approved
0.582 Remote Similarity NPD5216 Approved
0.582 Remote Similarity NPD5215 Approved
0.5818 Remote Similarity NPD4753 Phase 2
0.5812 Remote Similarity NPD7632 Discontinued
0.5812 Remote Similarity NPD8086 Approved
0.5812 Remote Similarity NPD8085 Approved
0.5812 Remote Similarity NPD8082 Approved
0.5812 Remote Similarity NPD8084 Approved
0.5812 Remote Similarity NPD8138 Approved
0.5812 Remote Similarity NPD8083 Approved
0.5812 Remote Similarity NPD8139 Approved
0.5804 Remote Similarity NPD4202 Approved
0.5789 Remote Similarity NPD5222 Approved
0.5789 Remote Similarity NPD5220 Clinical (unspecified phase)
0.5789 Remote Similarity NPD5221 Approved
0.5781 Remote Similarity NPD8513 Phase 3
0.5781 Remote Similarity NPD8516 Approved
0.5781 Remote Similarity NPD8515 Approved
0.5781 Remote Similarity NPD8517 Approved
0.5776 Remote Similarity NPD8418 Phase 2
0.5773 Remote Similarity NPD898 Approved
0.5773 Remote Similarity NPD896 Approved
0.5773 Remote Similarity NPD897 Approved
0.5763 Remote Similarity NPD8275 Approved
0.5763 Remote Similarity NPD8276 Approved
0.5743 Remote Similarity NPD1811 Approved
0.5743 Remote Similarity NPD1810 Approved
0.5739 Remote Similarity NPD5173 Approved
0.5738 Remote Similarity NPD5135 Approved
0.5738 Remote Similarity NPD5169 Approved
0.5738 Remote Similarity NPD5134 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   45269136
ChEMBL   CHEMBL561182
ZINC  

Physicochemical Properties

Molecular Weight:  312.12
ALogP:  -1.7194
MLogP:  2.34
XLogP:  0.239
# Rotatable Bonds:  5
Polar Surface Area:  113.29
# H-Bond Aceptor:  7
# H-Bond Donor:  3
# Rings:  4
# Heavy Atoms:  22

Download Data

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