Natural Product: NPC478212

Natural Product ID:  NPC478212
Common Name:   nagilactone K
IUPAC Name:  
Synonyms:  
Molecular Formula:   C18H22O7
Standard InCHIKey:  BBNIEZUCHOPINF-ZWYIPDRBSA-N
Standard InCHI:  InChI=1S/C18H22O7/c1-4-9-7-5-10-13-17(2,8(7)6-11(19)24-9)14(21)12(20)15(22)18(13,3)16(23)25-10/h6,10,12-15,20-22H,4-5H2,1-3H3/t10-,12?,13-,14?,15?,17-,18-/m1/s1
Canonical SMILES:  CCc1oc(=O)cc2c1C[C@H]1OC(=O)[C@@]3([C@H]1[C@]2(C)C(O)C(C3O)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
NPO33703 Podocarpus nagi Species Podocarpaceae Eukaryota Seeds Aihua, Lincang, Yunnan Province, China 2103-OCT PMID[28719204]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT179 Cell Line A2780 Homo sapiens IC50 Inactive at 10 uM µM 28719204
NPT6521 Cell Line HEY Homo sapiens IC50 Inactive at 10 uM µM 28719204

  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 NPC478212 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
0.972 High Similarity NPC478204
0.9712 High Similarity NPC478209
0.963 High Similarity NPC478205
0.963 High Similarity NPC108581
0.963 High Similarity NPC478206
0.9615 High Similarity NPC478210
0.9434 High Similarity NPC97939
0.9434 High Similarity NPC247031
0.9434 High Similarity NPC100329
0.9434 High Similarity NPC132790
0.934 High Similarity NPC478211
0.9327 High Similarity NPC478208
0.9259 High Similarity NPC475966
0.9182 High Similarity NPC53396
0.9182 High Similarity NPC98249
0.9099 High Similarity NPC284707
0.9091 High Similarity NPC478216
0.9009 High Similarity NPC58662
0.8899 High Similarity NPC474846
0.8899 High Similarity NPC469655
0.8899 High Similarity NPC469656
0.8785 High Similarity NPC469607
0.8718 High Similarity NPC477745
0.8673 High Similarity NPC13713
0.8673 High Similarity NPC469684
0.8649 High Similarity NPC269530
0.8644 High Similarity NPC476008
0.8532 High Similarity NPC180744
0.8505 High Similarity NPC273005
0.8505 High Similarity NPC31058
0.8505 High Similarity NPC469606
0.8487 Intermediate Similarity NPC478207
0.8482 Intermediate Similarity NPC472002
0.8475 Intermediate Similarity NPC24651
0.8462 Intermediate Similarity NPC312833
0.844 Intermediate Similarity NPC34768
0.8393 Intermediate Similarity NPC188738
0.839 Intermediate Similarity NPC67251
0.839 Intermediate Similarity NPC265557
0.839 Intermediate Similarity NPC18945
0.839 Intermediate Similarity NPC91693
0.839 Intermediate Similarity NPC105926
0.8378 Intermediate Similarity NPC474243
0.8364 Intermediate Similarity NPC302788
0.8362 Intermediate Similarity NPC230513
0.8348 Intermediate Similarity NPC55296
0.8333 Intermediate Similarity NPC117712
0.8319 Intermediate Similarity NPC476729
0.8318 Intermediate Similarity NPC47024
0.8291 Intermediate Similarity NPC154491
0.8291 Intermediate Similarity NPC478051
0.8291 Intermediate Similarity NPC268530
0.8291 Intermediate Similarity NPC251226
0.8288 Intermediate Similarity NPC189075
0.8288 Intermediate Similarity NPC275539
0.8273 Intermediate Similarity NPC102352
0.8261 Intermediate Similarity NPC207217
0.8257 Intermediate Similarity NPC159533
0.825 Intermediate Similarity NPC293112
0.8246 Intermediate Similarity NPC25909
0.8246 Intermediate Similarity NPC471204
0.8235 Intermediate Similarity NPC11895
0.822 Intermediate Similarity NPC4021
0.822 Intermediate Similarity NPC159456
0.822 Intermediate Similarity NPC470779
0.8214 Intermediate Similarity NPC469370
0.8205 Intermediate Similarity NPC42673
0.8205 Intermediate Similarity NPC470777
0.8198 Intermediate Similarity NPC110496
0.8198 Intermediate Similarity NPC67321
0.8198 Intermediate Similarity NPC78966
0.8198 Intermediate Similarity NPC144854
0.8198 Intermediate Similarity NPC179380
0.8198 Intermediate Similarity NPC3316
0.8198 Intermediate Similarity NPC284732
0.8198 Intermediate Similarity NPC187435
0.8198 Intermediate Similarity NPC230541
0.819 Intermediate Similarity NPC287343
0.819 Intermediate Similarity NPC473590
0.819 Intermediate Similarity NPC470775
0.819 Intermediate Similarity NPC475809
0.819 Intermediate Similarity NPC97908
0.819 Intermediate Similarity NPC122033
0.819 Intermediate Similarity NPC474654
0.819 Intermediate Similarity NPC134430
0.819 Intermediate Similarity NPC176513
0.819 Intermediate Similarity NPC470854
0.819 Intermediate Similarity NPC473968
0.8182 Intermediate Similarity NPC146731
0.8182 Intermediate Similarity NPC296950
0.8167 Intermediate Similarity NPC172154
0.8167 Intermediate Similarity NPC81736
0.8165 Intermediate Similarity NPC476081
0.8165 Intermediate Similarity NPC295791
0.8158 Intermediate Similarity NPC222834
0.8158 Intermediate Similarity NPC476801
0.8151 Intermediate Similarity NPC170538
0.8151 Intermediate Similarity NPC269642
0.8142 Intermediate Similarity NPC253906
0.8142 Intermediate Similarity NPC210005
0.8142 Intermediate Similarity NPC472666
0.8136 Intermediate Similarity NPC475003
0.8125 Intermediate Similarity NPC37628
0.8125 Intermediate Similarity NPC50124
0.8125 Intermediate Similarity NPC154608
0.8125 Intermediate Similarity NPC192813
0.8125 Intermediate Similarity NPC277017
0.812 Intermediate Similarity NPC21326
0.812 Intermediate Similarity NPC470776
0.812 Intermediate Similarity NPC251310
0.812 Intermediate Similarity NPC17772
0.8099 Intermediate Similarity NPC473635
0.8091 Intermediate Similarity NPC99510
0.8091 Intermediate Similarity NPC72842
0.8087 Intermediate Similarity NPC469454
0.8087 Intermediate Similarity NPC94509
0.8087 Intermediate Similarity NPC477126
0.8087 Intermediate Similarity NPC49451
0.8087 Intermediate Similarity NPC469463
0.8087 Intermediate Similarity NPC469496
0.8087 Intermediate Similarity NPC474271
0.8083 Intermediate Similarity NPC469789
0.8083 Intermediate Similarity NPC55602
0.8073 Intermediate Similarity NPC308824
0.807 Intermediate Similarity NPC304180
0.807 Intermediate Similarity NPC179798
0.807 Intermediate Similarity NPC171888
0.807 Intermediate Similarity NPC146945
0.8056 Intermediate Similarity NPC124512
0.8056 Intermediate Similarity NPC216478
0.8056 Intermediate Similarity NPC159763
0.8056 Intermediate Similarity NPC278386
0.8053 Intermediate Similarity NPC42662
0.8053 Intermediate Similarity NPC141350
0.8053 Intermediate Similarity NPC472534
0.8053 Intermediate Similarity NPC143706
0.8051 Intermediate Similarity NPC473839
0.8051 Intermediate Similarity NPC470186
0.8051 Intermediate Similarity NPC211093
0.8051 Intermediate Similarity NPC476529
0.8051 Intermediate Similarity NPC473636
0.8051 Intermediate Similarity NPC475775
0.8051 Intermediate Similarity NPC268958
0.8051 Intermediate Similarity NPC77689
0.8051 Intermediate Similarity NPC475041
0.8049 Intermediate Similarity NPC221414
0.8037 Intermediate Similarity NPC21302
0.8037 Intermediate Similarity NPC11396
0.8034 Intermediate Similarity NPC27999
0.8034 Intermediate Similarity NPC477116
0.8017 Intermediate Similarity NPC45218
0.8017 Intermediate Similarity NPC323821
0.8017 Intermediate Similarity NPC299849
0.8017 Intermediate Similarity NPC469790
0.8017 Intermediate Similarity NPC8369
0.8017 Intermediate Similarity NPC470922
0.8017 Intermediate Similarity NPC143268
0.8017 Intermediate Similarity NPC73314
0.8017 Intermediate Similarity NPC268238
0.8 Intermediate Similarity NPC12046
0.8 Intermediate Similarity NPC194951
0.8 Intermediate Similarity NPC165250
0.8 Intermediate Similarity NPC474516
0.8 Intermediate Similarity NPC235369
0.8 Intermediate Similarity NPC42658
0.8 Intermediate Similarity NPC4573
0.8 Intermediate Similarity NPC164551
0.8 Intermediate Similarity NPC277769
0.8 Intermediate Similarity NPC287236
0.7983 Intermediate Similarity NPC476961
0.7983 Intermediate Similarity NPC112038
0.7983 Intermediate Similarity NPC184555
0.7983 Intermediate Similarity NPC109607
0.7983 Intermediate Similarity NPC107338
0.7982 Intermediate Similarity NPC474012
0.7982 Intermediate Similarity NPC476299
0.7982 Intermediate Similarity NPC5103
0.7982 Intermediate Similarity NPC235014
0.7982 Intermediate Similarity NPC117685
0.7966 Intermediate Similarity NPC188667
0.7966 Intermediate Similarity NPC106644
0.7966 Intermediate Similarity NPC204552
0.7965 Intermediate Similarity NPC476802
0.7965 Intermediate Similarity NPC306265
0.7965 Intermediate Similarity NPC89171
0.7963 Intermediate Similarity NPC134454
0.7963 Intermediate Similarity NPC73911
0.7963 Intermediate Similarity NPC474343
0.7963 Intermediate Similarity NPC17326
0.7951 Intermediate Similarity NPC203702
0.7951 Intermediate Similarity NPC181999
0.7951 Intermediate Similarity NPC120994
0.7949 Intermediate Similarity NPC474734
0.7949 Intermediate Similarity NPC213084
0.7949 Intermediate Similarity NPC96312
0.7949 Intermediate Similarity NPC40632
0.7949 Intermediate Similarity NPC89929
0.7949 Intermediate Similarity NPC471816
0.7949 Intermediate Similarity NPC190185
0.7949 Intermediate Similarity NPC173686

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC478212 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
0.8056 Intermediate Similarity NPD4225 Approved
0.7895 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7807 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7672 Intermediate Similarity NPD5955 Clinical (unspecified phase)
0.7583 Intermediate Similarity NPD7115 Discovery
0.7568 Intermediate Similarity NPD7638 Approved
0.75 Intermediate Similarity NPD6686 Approved
0.75 Intermediate Similarity NPD7640 Approved
0.75 Intermediate Similarity NPD7639 Approved
0.748 Intermediate Similarity NPD7319 Approved
0.7414 Intermediate Similarity NPD5954 Clinical (unspecified phase)
0.7339 Intermediate Similarity NPD8513 Phase 3
0.7273 Intermediate Similarity NPD5779 Approved
0.7273 Intermediate Similarity NPD5778 Approved
0.7258 Intermediate Similarity NPD6319 Approved
0.725 Intermediate Similarity NPD6053 Discontinued
0.7244 Intermediate Similarity NPD7507 Approved
0.72 Intermediate Similarity NPD8516 Approved
0.72 Intermediate Similarity NPD8515 Approved
0.72 Intermediate Similarity NPD8517 Approved
0.7182 Intermediate Similarity NPD6411 Approved
0.7179 Intermediate Similarity NPD6008 Approved
0.7143 Intermediate Similarity NPD1698 Clinical (unspecified phase)
0.7087 Intermediate Similarity NPD8328 Phase 3
0.7069 Intermediate Similarity NPD7632 Discontinued
0.7063 Intermediate Similarity NPD7503 Approved
0.7063 Intermediate Similarity NPD6921 Approved
0.7049 Intermediate Similarity NPD4632 Approved
0.7034 Intermediate Similarity NPD7128 Approved
0.7034 Intermediate Similarity NPD6402 Approved
0.7034 Intermediate Similarity NPD5739 Approved
0.7034 Intermediate Similarity NPD6675 Approved
0.7031 Intermediate Similarity NPD7492 Approved
0.7027 Intermediate Similarity NPD7637 Suspended
0.7027 Intermediate Similarity NPD7983 Approved
0.7016 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD6101 Approved
0.7 Intermediate Similarity NPD6372 Approved
0.7 Intermediate Similarity NPD5764 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD6373 Approved
0.6984 Remote Similarity NPD6054 Approved
0.6984 Remote Similarity NPD6059 Approved
0.6983 Remote Similarity NPD5344 Discontinued
0.6977 Remote Similarity NPD6616 Approved
0.6975 Remote Similarity NPD5701 Approved
0.6975 Remote Similarity NPD5697 Approved
0.6942 Remote Similarity NPD6371 Approved
0.6942 Remote Similarity NPD4634 Approved
0.6937 Remote Similarity NPD46 Approved
0.6937 Remote Similarity NPD6698 Approved
0.6929 Remote Similarity NPD6016 Approved
0.6929 Remote Similarity NPD6015 Approved
0.6923 Remote Similarity NPD8074 Phase 3
0.6923 Remote Similarity NPD8293 Discontinued
0.6923 Remote Similarity NPD7078 Approved
0.6917 Remote Similarity NPD7320 Approved
0.6917 Remote Similarity NPD6899 Approved
0.6917 Remote Similarity NPD6881 Approved
0.6905 Remote Similarity NPD7516 Approved
0.6903 Remote Similarity NPD5282 Discontinued
0.6897 Remote Similarity NPD6648 Approved
0.6885 Remote Similarity NPD6649 Approved
0.6885 Remote Similarity NPD6650 Approved
0.6875 Remote Similarity NPD6370 Approved
0.6875 Remote Similarity NPD5988 Approved
0.687 Remote Similarity NPD7736 Approved
0.687 Remote Similarity NPD7902 Approved
0.686 Remote Similarity NPD6012 Approved
0.686 Remote Similarity NPD6014 Approved
0.686 Remote Similarity NPD8132 Clinical (unspecified phase)
0.686 Remote Similarity NPD6013 Approved
0.6833 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6829 Remote Similarity NPD8297 Approved
0.6825 Remote Similarity NPD7328 Approved
0.6825 Remote Similarity NPD7327 Approved
0.6822 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6814 Remote Similarity NPD6399 Phase 3
0.6803 Remote Similarity NPD6883 Approved
0.6803 Remote Similarity NPD7102 Approved
0.6803 Remote Similarity NPD7290 Approved
0.6789 Remote Similarity NPD1694 Approved
0.6777 Remote Similarity NPD6011 Approved
0.6754 Remote Similarity NPD7748 Approved
0.6748 Remote Similarity NPD6869 Approved
0.6748 Remote Similarity NPD6847 Approved
0.6748 Remote Similarity NPD8130 Phase 1
0.6748 Remote Similarity NPD6617 Approved
0.6746 Remote Similarity NPD6009 Approved
0.6727 Remote Similarity NPD3618 Phase 1
0.6726 Remote Similarity NPD7515 Phase 2
0.6724 Remote Similarity NPD4755 Approved
0.6716 Remote Similarity NPD7260 Phase 2
0.6696 Remote Similarity NPD5328 Approved
0.6694 Remote Similarity NPD6412 Phase 2
0.6694 Remote Similarity NPD6882 Approved
0.6667 Remote Similarity NPD8380 Approved
0.6667 Remote Similarity NPD8335 Approved
0.6667 Remote Similarity NPD8379 Approved
0.6667 Remote Similarity NPD8296 Approved
0.6667 Remote Similarity NPD6845 Suspended
0.6667 Remote Similarity NPD5983 Phase 2
0.6667 Remote Similarity NPD8033 Approved
0.6667 Remote Similarity NPD8378 Approved
0.6639 Remote Similarity NPD5211 Phase 2
0.6638 Remote Similarity NPD4697 Phase 3
0.6637 Remote Similarity NPD7838 Discovery
0.6613 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6613 Remote Similarity NPD6401 Clinical (unspecified phase)
0.661 Remote Similarity NPD5286 Approved
0.661 Remote Similarity NPD4696 Approved
0.661 Remote Similarity NPD5285 Approved
0.661 Remote Similarity NPD4700 Approved
0.6609 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6609 Remote Similarity NPD7900 Approved
0.6589 Remote Similarity NPD8294 Approved
0.6589 Remote Similarity NPD8377 Approved
0.6579 Remote Similarity NPD6079 Approved
0.6565 Remote Similarity NPD7604 Phase 2
0.6535 Remote Similarity NPD6274 Approved
0.6529 Remote Similarity NPD5141 Approved
0.6518 Remote Similarity NPD7524 Approved
0.6508 Remote Similarity NPD8133 Approved
0.65 Remote Similarity NPD5225 Approved
0.65 Remote Similarity NPD5226 Approved
0.65 Remote Similarity NPD5224 Approved
0.65 Remote Similarity NPD4633 Approved
0.6496 Remote Similarity NPD5222 Approved
0.6496 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6496 Remote Similarity NPD5221 Approved
0.6493 Remote Similarity NPD6033 Approved
0.6491 Remote Similarity NPD5785 Approved
0.6466 Remote Similarity NPD6336 Discontinued
0.6446 Remote Similarity NPD5174 Approved
0.6446 Remote Similarity NPD5175 Approved
0.6441 Remote Similarity NPD5173 Approved
0.6441 Remote Similarity NPD6084 Phase 2
0.6441 Remote Similarity NPD6083 Phase 2
0.6435 Remote Similarity NPD8034 Phase 2
0.6435 Remote Similarity NPD8035 Phase 2
0.6429 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6417 Remote Similarity NPD5223 Approved
0.6412 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6404 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6396 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6387 Remote Similarity NPD5696 Approved
0.6387 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6385 Remote Similarity NPD7100 Approved
0.6385 Remote Similarity NPD7101 Approved
0.6379 Remote Similarity NPD4202 Approved
0.6372 Remote Similarity NPD3573 Approved
0.6364 Remote Similarity NPD3667 Approved
0.6357 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6357 Remote Similarity NPD6317 Approved
0.6356 Remote Similarity NPD7839 Suspended
0.6341 Remote Similarity NPD4768 Approved
0.6341 Remote Similarity NPD4767 Approved
0.6339 Remote Similarity NPD1733 Clinical (unspecified phase)
0.6311 Remote Similarity NPD4754 Approved
0.6308 Remote Similarity NPD6314 Approved
0.6308 Remote Similarity NPD6335 Approved
0.6308 Remote Similarity NPD6313 Approved
0.6306 Remote Similarity NPD6695 Phase 3
0.6293 Remote Similarity NPD5284 Approved
0.6293 Remote Similarity NPD5281 Approved
0.6288 Remote Similarity NPD6909 Approved
0.6288 Remote Similarity NPD6908 Approved
0.6283 Remote Similarity NPD7334 Approved
0.6283 Remote Similarity NPD6684 Approved
0.6283 Remote Similarity NPD5330 Approved
0.6283 Remote Similarity NPD7146 Approved
0.6283 Remote Similarity NPD7521 Approved
0.6283 Remote Similarity NPD6409 Approved
0.6283 Remote Similarity NPD4249 Approved
0.6283 Remote Similarity NPD5279 Phase 3
0.6279 Remote Similarity NPD6868 Approved
0.6271 Remote Similarity NPD5695 Phase 3
0.6271 Remote Similarity NPD6356 Clinical (unspecified phase)
0.625 Remote Similarity NPD4786 Approved
0.625 Remote Similarity NPD3665 Phase 1
0.625 Remote Similarity NPD3666 Approved
0.625 Remote Similarity NPD3133 Approved
0.624 Remote Similarity NPD5128 Approved
0.624 Remote Similarity NPD4730 Approved
0.624 Remote Similarity NPD4729 Approved
0.6228 Remote Similarity NPD4250 Approved
0.6228 Remote Similarity NPD4251 Approved
0.6195 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6194 Remote Similarity NPD7829 Approved
0.6194 Remote Similarity NPD7830 Approved
0.6194 Remote Similarity NPD6067 Discontinued
0.6182 Remote Similarity NPD4695 Discontinued
0.6174 Remote Similarity NPD5737 Approved
0.6174 Remote Similarity NPD6903 Approved
0.6174 Remote Similarity NPD6672 Approved
0.6174 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6168 Remote Similarity NPD8434 Phase 2
0.6161 Remote Similarity NPD7154 Phase 3
0.6154 Remote Similarity NPD5693 Phase 1
0.6148 Remote Similarity NPD4159 Approved
0.6148 Remote Similarity NPD1700 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL  
ZINC  

Physicochemical Properties

Molecular Weight:  350.14
ALogP:  -1.5346
MLogP:  2.67
XLogP:  -0.587
# Rotatable Bonds:  7
Polar Surface Area:  113.29
# H-Bond Aceptor:  7
# H-Bond Donor:  3
# Rings:  4
# Heavy Atoms:  25

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
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