Natural Product: NPC474065

Natural Product ID:  NPC474065
Common Name:   Pseudomajucin
IUPAC Name:  
Synonyms:   Pseudomajucin
Molecular Formula:   C15H22O5
Standard InCHIKey:  UOJOLCLAGZTOOG-PKZJOAQBSA-N
Standard InCHI:  InChI=1S/C15H22O5/c1-8-10(16)4-15-12(3)7-19-14(18,9(12)2)6-13(8,15)5-11(17)20-15/h8-10,16,18H,4-7H2,1-3H3/t8-,9+,10-,12-,13+,14+,15-/m1/s1
Canonical SMILES:  O=C1O[C@]23[C@@](C1)(C[C@]1([C@H]([C@@]3(C)CO1)C)O)[C@@H]([C@@H](C2)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 = 2.83 % DrugMatrix in vitro pharmacology data

  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 NPC474065 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
0.8723 High Similarity NPC211087
0.8646 High Similarity NPC213528
0.8646 High Similarity NPC244969
0.8469 Intermediate Similarity NPC473526
0.8469 Intermediate Similarity NPC100078
0.8469 Intermediate Similarity NPC473701
0.8384 Intermediate Similarity NPC306776
0.8384 Intermediate Similarity NPC166079
0.8333 Intermediate Similarity NPC253995
0.8315 Intermediate Similarity NPC291310
0.8298 Intermediate Similarity NPC470424
0.8229 Intermediate Similarity NPC471241
0.8202 Intermediate Similarity NPC157328
0.8191 Intermediate Similarity NPC472232
0.8191 Intermediate Similarity NPC476189
0.8191 Intermediate Similarity NPC472231
0.8125 Intermediate Similarity NPC193785
0.81 Intermediate Similarity NPC88469
0.8085 Intermediate Similarity NPC475878
0.8068 Intermediate Similarity NPC134227
0.8 Intermediate Similarity NPC472238
0.8 Intermediate Similarity NPC472237
0.8 Intermediate Similarity NPC15091
0.8 Intermediate Similarity NPC161035
0.8 Intermediate Similarity NPC471253
0.7957 Intermediate Similarity NPC191221
0.7957 Intermediate Similarity NPC471221
0.7938 Intermediate Similarity NPC116683
0.7938 Intermediate Similarity NPC476728
0.7931 Intermediate Similarity NPC307865
0.7907 Intermediate Similarity NPC155441
0.7872 Intermediate Similarity NPC200580
0.7835 Intermediate Similarity NPC305808
0.783 Intermediate Similarity NPC285086
0.7826 Intermediate Similarity NPC478111
0.7826 Intermediate Similarity NPC473350
0.7822 Intermediate Similarity NPC473406
0.7812 Intermediate Similarity NPC211845
0.7812 Intermediate Similarity NPC256104
0.7812 Intermediate Similarity NPC122083
0.7812 Intermediate Similarity NPC182740
0.7802 Intermediate Similarity NPC69953
0.78 Intermediate Similarity NPC298266
0.78 Intermediate Similarity NPC259654
0.7789 Intermediate Similarity NPC77756
0.7778 Intermediate Similarity NPC472144
0.7778 Intermediate Similarity NPC475743
0.7766 Intermediate Similarity NPC476435
0.7757 Intermediate Similarity NPC79193
0.7755 Intermediate Similarity NPC475765
0.7755 Intermediate Similarity NPC475785
0.7742 Intermediate Similarity NPC472272
0.7723 Intermediate Similarity NPC471254
0.7723 Intermediate Similarity NPC470172
0.7717 Intermediate Similarity NPC477434
0.7714 Intermediate Similarity NPC98633
0.7708 Intermediate Similarity NPC52756
0.7684 Intermediate Similarity NPC472233
0.7684 Intermediate Similarity NPC477440
0.7684 Intermediate Similarity NPC472234
0.7684 Intermediate Similarity NPC477443
0.7684 Intermediate Similarity NPC61688
0.7677 Intermediate Similarity NPC472145
0.7667 Intermediate Similarity NPC474714
0.7667 Intermediate Similarity NPC125366
0.766 Intermediate Similarity NPC239938
0.7653 Intermediate Similarity NPC21897
0.7624 Intermediate Similarity NPC178853
0.7609 Intermediate Similarity NPC2572
0.7609 Intermediate Similarity NPC29342
0.7604 Intermediate Similarity NPC477433
0.7604 Intermediate Similarity NPC477442
0.7604 Intermediate Similarity NPC477444
0.7593 Intermediate Similarity NPC470115
0.7593 Intermediate Similarity NPC470116
0.7582 Intermediate Similarity NPC254123
0.7582 Intermediate Similarity NPC58631
0.7579 Intermediate Similarity NPC477614
0.7579 Intermediate Similarity NPC226491
0.7579 Intermediate Similarity NPC33398
0.7573 Intermediate Similarity NPC327093
0.7551 Intermediate Similarity NPC477495
0.7528 Intermediate Similarity NPC70996
0.7528 Intermediate Similarity NPC143250
0.7528 Intermediate Similarity NPC214030
0.7528 Intermediate Similarity NPC83108
0.7527 Intermediate Similarity NPC473299
0.7527 Intermediate Similarity NPC65133
0.7525 Intermediate Similarity NPC108371
0.7523 Intermediate Similarity NPC475490
0.75 Intermediate Similarity NPC285927
0.75 Intermediate Similarity NPC35871
0.75 Intermediate Similarity NPC472273
0.75 Intermediate Similarity NPC97002
0.75 Intermediate Similarity NPC278028
0.75 Intermediate Similarity NPC68565
0.75 Intermediate Similarity NPC328180
0.7475 Intermediate Similarity NPC62407
0.7475 Intermediate Similarity NPC287354
0.7474 Intermediate Similarity NPC210658
0.7474 Intermediate Similarity NPC161928
0.7451 Intermediate Similarity NPC39683
0.7449 Intermediate Similarity NPC147272
0.7447 Intermediate Similarity NPC477445
0.7447 Intermediate Similarity NPC476715
0.7426 Intermediate Similarity NPC292775
0.7423 Intermediate Similarity NPC470114
0.7407 Intermediate Similarity NPC477489
0.7404 Intermediate Similarity NPC470167
0.7404 Intermediate Similarity NPC472227
0.7404 Intermediate Similarity NPC472228
0.7404 Intermediate Similarity NPC13149
0.7396 Intermediate Similarity NPC221993
0.7396 Intermediate Similarity NPC128475
0.7386 Intermediate Similarity NPC477867
0.7386 Intermediate Similarity NPC55508
0.7386 Intermediate Similarity NPC215030
0.7383 Intermediate Similarity NPC124053
0.7383 Intermediate Similarity NPC255655
0.7383 Intermediate Similarity NPC130302
0.7383 Intermediate Similarity NPC98069
0.7383 Intermediate Similarity NPC49730
0.7379 Intermediate Similarity NPC292803
0.7374 Intermediate Similarity NPC470423
0.7374 Intermediate Similarity NPC76136
0.7374 Intermediate Similarity NPC329713
0.7374 Intermediate Similarity NPC217567
0.7368 Intermediate Similarity NPC80700
0.7368 Intermediate Similarity NPC476717
0.7363 Intermediate Similarity NPC80891
0.7363 Intermediate Similarity NPC476176
0.7363 Intermediate Similarity NPC201276
0.734 Intermediate Similarity NPC473336
0.734 Intermediate Similarity NPC79308
0.734 Intermediate Similarity NPC471044
0.734 Intermediate Similarity NPC18953
0.7333 Intermediate Similarity NPC215408
0.7327 Intermediate Similarity NPC266417
0.7327 Intermediate Similarity NPC253586
0.7326 Intermediate Similarity NPC98711
0.7326 Intermediate Similarity NPC475062
0.732 Intermediate Similarity NPC67653
0.732 Intermediate Similarity NPC471459
0.7315 Intermediate Similarity NPC473062
0.7315 Intermediate Similarity NPC469824
0.7315 Intermediate Similarity NPC471251
0.7312 Intermediate Similarity NPC311642
0.7312 Intermediate Similarity NPC242771
0.7312 Intermediate Similarity NPC212340
0.7312 Intermediate Similarity NPC100366
0.7312 Intermediate Similarity NPC164289
0.7308 Intermediate Similarity NPC107385
0.7308 Intermediate Similarity NPC140723
0.73 Intermediate Similarity NPC215570
0.7297 Intermediate Similarity NPC179429
0.7292 Intermediate Similarity NPC213658
0.7292 Intermediate Similarity NPC5943
0.7292 Intermediate Similarity NPC62202
0.7292 Intermediate Similarity NPC45833
0.7292 Intermediate Similarity NPC110365
0.729 Intermediate Similarity NPC471250
0.7283 Intermediate Similarity NPC477851
0.7282 Intermediate Similarity NPC121218
0.7282 Intermediate Similarity NPC253886
0.7273 Intermediate Similarity NPC300051
0.7273 Intermediate Similarity NPC109510
0.7264 Intermediate Similarity NPC203974
0.7264 Intermediate Similarity NPC88833
0.7264 Intermediate Similarity NPC96333
0.7263 Intermediate Similarity NPC266651
0.7263 Intermediate Similarity NPC477205
0.7263 Intermediate Similarity NPC235402
0.7255 Intermediate Similarity NPC476294
0.7253 Intermediate Similarity NPC324700
0.7253 Intermediate Similarity NPC471045
0.7253 Intermediate Similarity NPC224802
0.7253 Intermediate Similarity NPC80089
0.7253 Intermediate Similarity NPC171426
0.7253 Intermediate Similarity NPC34046
0.7238 Intermediate Similarity NPC132304
0.7238 Intermediate Similarity NPC88890
0.7238 Intermediate Similarity NPC154962
0.7238 Intermediate Similarity NPC469629
0.7238 Intermediate Similarity NPC114365
0.7238 Intermediate Similarity NPC169089
0.7238 Intermediate Similarity NPC18044
0.7238 Intermediate Similarity NPC18433
0.7238 Intermediate Similarity NPC123070
0.7238 Intermediate Similarity NPC177518
0.7234 Intermediate Similarity NPC327451
0.7228 Intermediate Similarity NPC235109
0.7228 Intermediate Similarity NPC156377
0.7222 Intermediate Similarity NPC475463
0.7217 Intermediate Similarity NPC471392
0.7216 Intermediate Similarity NPC470009
0.7212 Intermediate Similarity NPC170615
0.7207 Intermediate Similarity NPC106228
0.7207 Intermediate Similarity NPC138372
0.7204 Intermediate Similarity NPC472229
0.7204 Intermediate Similarity NPC472230

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC474065 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
0.8542 High Similarity NPD1700 Approved
0.7253 Intermediate Similarity NPD6115 Approved
0.7253 Intermediate Similarity NPD6118 Approved
0.7253 Intermediate Similarity NPD6114 Approved
0.7253 Intermediate Similarity NPD6697 Approved
0.7238 Intermediate Similarity NPD4056 Clinical (unspecified phase)
0.7238 Intermediate Similarity NPD8170 Clinical (unspecified phase)
0.7238 Intermediate Similarity NPD4057 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD6116 Phase 1
0.7111 Intermediate Similarity NPD3702 Approved
0.7033 Intermediate Similarity NPD6117 Approved
0.6923 Remote Similarity NPD3703 Phase 2
0.6915 Remote Similarity NPD6928 Phase 2
0.6852 Remote Similarity NPD6008 Approved
0.6813 Remote Similarity NPD6113 Clinical (unspecified phase)
0.675 Remote Similarity NPD7078 Approved
0.6727 Remote Similarity NPD7320 Approved
0.6723 Remote Similarity NPD7492 Approved
0.6697 Remote Similarity NPD6675 Approved
0.6697 Remote Similarity NPD7128 Approved
0.6697 Remote Similarity NPD6402 Approved
0.6697 Remote Similarity NPD5739 Approved
0.6667 Remote Similarity NPD6372 Approved
0.6667 Remote Similarity NPD6616 Approved
0.6667 Remote Similarity NPD6373 Approved
0.6667 Remote Similarity NPD6059 Approved
0.6667 Remote Similarity NPD6054 Approved
0.6637 Remote Similarity NPD6882 Approved
0.6636 Remote Similarity NPD5701 Approved
0.6636 Remote Similarity NPD5697 Approved
0.6629 Remote Similarity NPD229 Approved
0.6612 Remote Similarity NPD8293 Discontinued
0.661 Remote Similarity NPD6015 Approved
0.661 Remote Similarity NPD6016 Approved
0.6577 Remote Similarity NPD6899 Approved
0.6577 Remote Similarity NPD6881 Approved
0.6557 Remote Similarity NPD7736 Approved
0.6555 Remote Similarity NPD6370 Approved
0.6555 Remote Similarity NPD5988 Approved
0.6552 Remote Similarity NPD6009 Approved
0.6549 Remote Similarity NPD6650 Approved
0.6549 Remote Similarity NPD6649 Approved
0.6529 Remote Similarity NPD7507 Approved
0.6526 Remote Similarity NPD4238 Approved
0.6526 Remote Similarity NPD4802 Phase 2
0.6518 Remote Similarity NPD6014 Approved
0.6518 Remote Similarity NPD6013 Approved
0.6518 Remote Similarity NPD6012 Approved
0.6505 Remote Similarity NPD8035 Phase 2
0.6505 Remote Similarity NPD8034 Phase 2
0.6495 Remote Similarity NPD1780 Approved
0.6495 Remote Similarity NPD1779 Approved
0.646 Remote Similarity NPD7290 Approved
0.646 Remote Similarity NPD7102 Approved
0.646 Remote Similarity NPD6883 Approved
0.6442 Remote Similarity NPD8171 Discontinued
0.6435 Remote Similarity NPD4632 Approved
0.6429 Remote Similarity NPD6011 Approved
0.6429 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6413 Remote Similarity NPD5777 Approved
0.6413 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6413 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6404 Remote Similarity NPD6617 Approved
0.6404 Remote Similarity NPD8130 Phase 1
0.6404 Remote Similarity NPD6847 Approved
0.6404 Remote Similarity NPD6869 Approved
0.6387 Remote Similarity NPD6319 Approved
0.6374 Remote Similarity NPD3700 Clinical (unspecified phase)
0.6374 Remote Similarity NPD3698 Phase 2
0.6374 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6371 Remote Similarity NPD7319 Approved
0.6355 Remote Similarity NPD4755 Approved
0.6348 Remote Similarity NPD8297 Approved
0.6304 Remote Similarity NPD4245 Approved
0.6304 Remote Similarity NPD4244 Approved
0.6293 Remote Similarity NPD8133 Approved
0.6292 Remote Similarity NPD9496 Clinical (unspecified phase)
0.6292 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6261 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6239 Remote Similarity NPD4696 Approved
0.6239 Remote Similarity NPD5285 Approved
0.6239 Remote Similarity NPD5286 Approved
0.6239 Remote Similarity NPD4700 Approved
0.6238 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6207 Remote Similarity NPD6053 Discontinued
0.62 Remote Similarity NPD3670 Clinical (unspecified phase)
0.62 Remote Similarity NPD3669 Approved
0.6198 Remote Similarity NPD5983 Phase 2
0.6198 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6186 Remote Similarity NPD6274 Approved
0.616 Remote Similarity NPD6033 Approved
0.6147 Remote Similarity NPD7638 Approved
0.6132 Remote Similarity NPD6399 Phase 3
0.6126 Remote Similarity NPD5211 Phase 2
0.6126 Remote Similarity NPD4633 Approved
0.6126 Remote Similarity NPD5226 Approved
0.6126 Remote Similarity NPD5224 Approved
0.6126 Remote Similarity NPD5225 Approved
0.61 Remote Similarity NPD6435 Approved
0.6098 Remote Similarity NPD7604 Phase 2
0.6092 Remote Similarity NPD3198 Approved
0.6091 Remote Similarity NPD7640 Approved
0.6091 Remote Similarity NPD7639 Approved
0.6087 Remote Similarity NPD5360 Phase 3
0.6087 Remote Similarity NPD5361 Clinical (unspecified phase)
0.6087 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6087 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6083 Remote Similarity NPD7327 Approved
0.6083 Remote Similarity NPD7328 Approved
0.6071 Remote Similarity NPD5175 Approved
0.6071 Remote Similarity NPD5174 Approved
0.6064 Remote Similarity NPD6081 Approved
0.6055 Remote Similarity NPD6083 Phase 2
0.6055 Remote Similarity NPD6084 Phase 2
0.6053 Remote Similarity NPD6412 Phase 2
0.605 Remote Similarity NPD6940 Discontinued
0.6044 Remote Similarity NPD4224 Phase 2
0.6036 Remote Similarity NPD5223 Approved
0.6034 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6034 Remote Similarity NPD4634 Approved
0.6033 Remote Similarity NPD7101 Approved
0.6033 Remote Similarity NPD7516 Approved
0.6033 Remote Similarity NPD7100 Approved
0.6022 Remote Similarity NPD4267 Clinical (unspecified phase)
0.6019 Remote Similarity NPD7991 Discontinued
0.6019 Remote Similarity NPD5695 Phase 3
0.6019 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6018 Remote Similarity NPD5141 Approved
0.6 Remote Similarity NPD5696 Approved
0.6 Remote Similarity NPD6336 Discontinued
0.6 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6 Remote Similarity NPD6317 Approved
0.5982 Remote Similarity NPD7632 Discontinued
0.5981 Remote Similarity NPD4202 Approved
0.5965 Remote Similarity NPD4767 Approved
0.5965 Remote Similarity NPD4768 Approved
0.5957 Remote Similarity NPD7532 Clinical (unspecified phase)
0.5957 Remote Similarity NPD4789 Approved
0.595 Remote Similarity NPD6313 Approved
0.595 Remote Similarity NPD6314 Approved
0.595 Remote Similarity NPD6335 Approved
0.5946 Remote Similarity NPD8418 Phase 2
0.5935 Remote Similarity NPD6909 Approved
0.5935 Remote Similarity NPD8033 Approved
0.5935 Remote Similarity NPD6908 Approved
0.5929 Remote Similarity NPD4754 Approved
0.59 Remote Similarity NPD5368 Approved
0.5895 Remote Similarity NPD4758 Discontinued
0.5865 Remote Similarity NPD4249 Approved
0.5862 Remote Similarity NPD5128 Approved
0.5862 Remote Similarity NPD4730 Approved
0.5862 Remote Similarity NPD4729 Approved
0.5859 Remote Similarity NPD3671 Phase 1
0.5854 Remote Similarity NPD8377 Approved
0.5854 Remote Similarity NPD8294 Approved
0.5849 Remote Similarity NPD5328 Approved
0.584 Remote Similarity NPD6067 Discontinued
0.5818 Remote Similarity NPD4697 Phase 3
0.581 Remote Similarity NPD4250 Approved
0.581 Remote Similarity NPD4251 Approved
0.5806 Remote Similarity NPD8379 Approved
0.5806 Remote Similarity NPD6921 Approved
0.5806 Remote Similarity NPD8378 Approved
0.5806 Remote Similarity NPD8296 Approved
0.5806 Remote Similarity NPD8335 Approved
0.5806 Remote Similarity NPD8380 Approved
0.5789 Remote Similarity NPD4787 Phase 1
0.578 Remote Similarity NPD6001 Approved
0.5776 Remote Similarity NPD5954 Clinical (unspecified phase)
0.5773 Remote Similarity NPD1810 Approved
0.5773 Remote Similarity NPD1811 Approved
0.5763 Remote Similarity NPD5250 Approved
0.5763 Remote Similarity NPD5247 Approved
0.5763 Remote Similarity NPD5248 Approved
0.5763 Remote Similarity NPD5249 Phase 3
0.5763 Remote Similarity NPD5251 Approved
0.5741 Remote Similarity NPD5284 Approved
0.5741 Remote Similarity NPD6079 Approved
0.5741 Remote Similarity NPD5281 Approved
0.5728 Remote Similarity NPD4788 Approved
0.5714 Remote Similarity NPD8328 Phase 3
0.5714 Remote Similarity NPD5215 Approved
0.5714 Remote Similarity NPD5217 Approved
0.5714 Remote Similarity NPD3618 Phase 1
0.5714 Remote Similarity NPD5216 Approved
0.5701 Remote Similarity NPD4753 Phase 2
0.57 Remote Similarity NPD5364 Discontinued
0.5676 Remote Similarity NPD5221 Approved
0.5676 Remote Similarity NPD5220 Clinical (unspecified phase)
0.5676 Remote Similarity NPD5222 Approved
0.5652 Remote Similarity NPD371 Approved
0.5648 Remote Similarity NPD5207 Approved
0.563 Remote Similarity NPD5134 Clinical (unspecified phase)
0.563 Remote Similarity NPD5169 Approved
0.563 Remote Similarity NPD5135 Approved
0.5625 Remote Similarity NPD7902 Approved
0.5625 Remote Similarity NPD5173 Approved
0.561 Remote Similarity NPD7115 Discovery
0.5607 Remote Similarity NPD6903 Approved

Structure

External Identifiers

PubChem CID   44566789
ChEMBL   CHEMBL459696
ZINC  

Physicochemical Properties

Molecular Weight:  282.15
ALogP:  -0.9475
MLogP:  2.56
XLogP:  0.716
# Rotatable Bonds:  5
Polar Surface Area:  75.99
# H-Bond Aceptor:  5
# H-Bond Donor:  2
# Rings:  4
# Heavy Atoms:  20

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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