Natural Product: NPC160413

Natural Product ID:  NPC160413
Common Name:   Maytenone
IUPAC Name:  
Synonyms:   Maytenone
Molecular Formula:   C40H60O4
Standard InCHIKey:  XIBQGXZPEAWMMS-JKOYJTFMSA-N
Standard InCHI:  InChI=1S/C40H60O4/c1-22(2)39(43)28(41)21-27-36(9)18-11-16-35(7,8)26(36)15-20-38(27)31-29-24(30(32(38)39)40(44,23(3)4)33(31)42)13-14-25-34(5,6)17-12-19-37(25,29)10/h21-23,25-26,30-32,43-44H,11-20H2,1-10H3/t25-,26-,30-,31-,32+,36-,37-,38-,39-,40+/m0/s1
Canonical SMILES:  CC([C@]1(O)C(=O)[C@@H]2C3=C([C@H]1[C@@H]1[C@@]42CC[C@@H]2[C@](C4=CC(=O)[C@@]1(O)C(C)C)(C)CCCC2(C)C)CC[C@@H]1[C@]3(C)CCCC1(C)C)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
NPO27625 Buddleja globosa Species Scrophulariaceae Eukaryota PMID[11000021]
NPO5565 Harpagophytum procumbens Species Pedaliaceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT328 Organism Epidermophyton floccosum Epidermophyton floccosum MIC = 625000 nM 11000021
NPT329 Organism Trichophyton rubrum Trichophyton rubrum MIC = 625000 nM 11000021
NPT4353 Organism Trichophyton interdigitale Trichophyton interdigitale MIC = 625000 nM 11000021

  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 NPC160413 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
0.8889 High Similarity NPC65615
0.8889 High Similarity NPC68148
0.8617 High Similarity NPC147232
0.8571 High Similarity NPC230387
0.8511 High Similarity NPC23170
0.8511 High Similarity NPC474328
0.8444 Intermediate Similarity NPC469993
0.8427 Intermediate Similarity NPC53733
0.8421 Intermediate Similarity NPC139570
0.8404 Intermediate Similarity NPC211230
0.8333 Intermediate Similarity NPC157113
0.8333 Intermediate Similarity NPC62516
0.8295 Intermediate Similarity NPC18955
0.828 Intermediate Similarity NPC112454
0.8202 Intermediate Similarity NPC473217
0.82 Intermediate Similarity NPC179208
0.8132 Intermediate Similarity NPC96095
0.8132 Intermediate Similarity NPC251170
0.8125 Intermediate Similarity NPC74751
0.8119 Intermediate Similarity NPC213366
0.8119 Intermediate Similarity NPC284865
0.8105 Intermediate Similarity NPC474525
0.8105 Intermediate Similarity NPC145067
0.8105 Intermediate Similarity NPC470036
0.8105 Intermediate Similarity NPC233455
0.8105 Intermediate Similarity NPC174167
0.8105 Intermediate Similarity NPC99380
0.8105 Intermediate Similarity NPC65120
0.8105 Intermediate Similarity NPC158030
0.8105 Intermediate Similarity NPC4036
0.8085 Intermediate Similarity NPC69627
0.8068 Intermediate Similarity NPC476808
0.8065 Intermediate Similarity NPC73064
0.8061 Intermediate Similarity NPC473456
0.8043 Intermediate Similarity NPC133954
0.8041 Intermediate Similarity NPC473240
0.8021 Intermediate Similarity NPC214756
0.8021 Intermediate Similarity NPC158059
0.8021 Intermediate Similarity NPC295643
0.8021 Intermediate Similarity NPC202728
0.8021 Intermediate Similarity NPC118519
0.8021 Intermediate Similarity NPC272075
0.8021 Intermediate Similarity NPC263780
0.8 Intermediate Similarity NPC118964
0.8 Intermediate Similarity NPC475863
0.8 Intermediate Similarity NPC55869
0.8 Intermediate Similarity NPC46441
0.8 Intermediate Similarity NPC470034
0.798 Intermediate Similarity NPC260149
0.798 Intermediate Similarity NPC58942
0.7959 Intermediate Similarity NPC327179
0.7959 Intermediate Similarity NPC476318
0.7959 Intermediate Similarity NPC476327
0.7959 Intermediate Similarity NPC473158
0.7957 Intermediate Similarity NPC213412
0.7957 Intermediate Similarity NPC74363
0.7957 Intermediate Similarity NPC475862
0.7938 Intermediate Similarity NPC114159
0.7938 Intermediate Similarity NPC191412
0.7938 Intermediate Similarity NPC474529
0.7938 Intermediate Similarity NPC212812
0.7938 Intermediate Similarity NPC6818
0.7938 Intermediate Similarity NPC293086
0.7938 Intermediate Similarity NPC474882
0.7938 Intermediate Similarity NPC148964
0.7935 Intermediate Similarity NPC180834
0.7917 Intermediate Similarity NPC168027
0.7917 Intermediate Similarity NPC38754
0.7917 Intermediate Similarity NPC185936
0.7917 Intermediate Similarity NPC187722
0.7917 Intermediate Similarity NPC470590
0.7917 Intermediate Similarity NPC60755
0.7917 Intermediate Similarity NPC77099
0.7917 Intermediate Similarity NPC285184
0.7917 Intermediate Similarity NPC105189
0.7917 Intermediate Similarity NPC235704
0.7917 Intermediate Similarity NPC248913
0.7912 Intermediate Similarity NPC69101
0.7912 Intermediate Similarity NPC251779
0.7912 Intermediate Similarity NPC310989
0.79 Intermediate Similarity NPC15390
0.7895 Intermediate Similarity NPC30522
0.7895 Intermediate Similarity NPC64872
0.7895 Intermediate Similarity NPC274330
0.7895 Intermediate Similarity NPC198664
0.7895 Intermediate Similarity NPC25906
0.7895 Intermediate Similarity NPC290972
0.7895 Intermediate Similarity NPC143232
0.7889 Intermediate Similarity NPC287063
0.7889 Intermediate Similarity NPC476809
0.7889 Intermediate Similarity NPC108955
0.7889 Intermediate Similarity NPC469637
0.7879 Intermediate Similarity NPC26413
0.7879 Intermediate Similarity NPC189880
0.7879 Intermediate Similarity NPC18509
0.7872 Intermediate Similarity NPC471792
0.7865 Intermediate Similarity NPC30321
0.7857 Intermediate Similarity NPC148523
0.7857 Intermediate Similarity NPC474602
0.7857 Intermediate Similarity NPC473170
0.7857 Intermediate Similarity NPC777
0.7849 Intermediate Similarity NPC474537
0.7841 Intermediate Similarity NPC92080
0.7835 Intermediate Similarity NPC477436
0.7835 Intermediate Similarity NPC118490
0.7835 Intermediate Similarity NPC477435
0.7835 Intermediate Similarity NPC229281
0.7826 Intermediate Similarity NPC105803
0.7812 Intermediate Similarity NPC120968
0.7812 Intermediate Similarity NPC18872
0.7812 Intermediate Similarity NPC7260
0.7812 Intermediate Similarity NPC273621
0.7812 Intermediate Similarity NPC111110
0.7812 Intermediate Similarity NPC126369
0.7812 Intermediate Similarity NPC227467
0.7812 Intermediate Similarity NPC210037
0.7812 Intermediate Similarity NPC475823
0.7812 Intermediate Similarity NPC470589
0.7812 Intermediate Similarity NPC223093
0.7812 Intermediate Similarity NPC477872
0.7812 Intermediate Similarity NPC474728
0.7812 Intermediate Similarity NPC193750
0.7812 Intermediate Similarity NPC120840
0.7812 Intermediate Similarity NPC474209
0.7812 Intermediate Similarity NPC290614
0.7812 Intermediate Similarity NPC291028
0.7812 Intermediate Similarity NPC130278
0.7812 Intermediate Similarity NPC113989
0.7802 Intermediate Similarity NPC162632
0.7802 Intermediate Similarity NPC274050
0.7802 Intermediate Similarity NPC471898
0.7802 Intermediate Similarity NPC267691
0.7802 Intermediate Similarity NPC3915
0.7802 Intermediate Similarity NPC263272
0.78 Intermediate Similarity NPC471966
0.7789 Intermediate Similarity NPC472802
0.7789 Intermediate Similarity NPC52169
0.7789 Intermediate Similarity NPC470629
0.7789 Intermediate Similarity NPC290690
0.7789 Intermediate Similarity NPC206060
0.7789 Intermediate Similarity NPC182797
0.7789 Intermediate Similarity NPC473242
0.7789 Intermediate Similarity NPC17733
0.7789 Intermediate Similarity NPC474512
0.7789 Intermediate Similarity NPC474925
0.7789 Intermediate Similarity NPC470524
0.7789 Intermediate Similarity NPC181225
0.7778 Intermediate Similarity NPC207922
0.7778 Intermediate Similarity NPC259733
0.7778 Intermediate Similarity NPC469545
0.7778 Intermediate Similarity NPC96859
0.7778 Intermediate Similarity NPC116457
0.7778 Intermediate Similarity NPC98874
0.7778 Intermediate Similarity NPC132824
0.7778 Intermediate Similarity NPC61369
0.7778 Intermediate Similarity NPC5532
0.7778 Intermediate Similarity NPC328162
0.7778 Intermediate Similarity NPC158371
0.7778 Intermediate Similarity NPC305483
0.7766 Intermediate Similarity NPC95594
0.7766 Intermediate Similarity NPC56588
0.7766 Intermediate Similarity NPC477579
0.7766 Intermediate Similarity NPC158393
0.7766 Intermediate Similarity NPC72638
0.7766 Intermediate Similarity NPC235341
0.7755 Intermediate Similarity NPC472976
0.7755 Intermediate Similarity NPC245972
0.7755 Intermediate Similarity NPC196485
0.7755 Intermediate Similarity NPC477439
0.7755 Intermediate Similarity NPC472977
0.7755 Intermediate Similarity NPC471207
0.7732 Intermediate Similarity NPC472978
0.7723 Intermediate Similarity NPC144956
0.7717 Intermediate Similarity NPC163236
0.7717 Intermediate Similarity NPC48362
0.7708 Intermediate Similarity NPC61543
0.7708 Intermediate Similarity NPC130520
0.7708 Intermediate Similarity NPC263393
0.7708 Intermediate Similarity NPC474245
0.7708 Intermediate Similarity NPC275740
0.7708 Intermediate Similarity NPC234346
0.7708 Intermediate Similarity NPC121798
0.7708 Intermediate Similarity NPC127689
0.7708 Intermediate Similarity NPC225585
0.7708 Intermediate Similarity NPC59263
0.7708 Intermediate Similarity NPC293048
0.7708 Intermediate Similarity NPC470588
0.7708 Intermediate Similarity NPC86319
0.7708 Intermediate Similarity NPC472973
0.7708 Intermediate Similarity NPC270768
0.77 Intermediate Similarity NPC9613
0.77 Intermediate Similarity NPC190554
0.77 Intermediate Similarity NPC259788
0.77 Intermediate Similarity NPC247139
0.77 Intermediate Similarity NPC255589
0.77 Intermediate Similarity NPC187933
0.7692 Intermediate Similarity NPC2482
0.7692 Intermediate Similarity NPC37038
0.7684 Intermediate Similarity NPC242468
0.7684 Intermediate Similarity NPC68160

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC160413 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
0.828 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.8125 Intermediate Similarity NPD7748 Approved
0.8105 Intermediate Similarity NPD7515 Phase 2
0.8061 Intermediate Similarity NPD7902 Approved
0.7889 Intermediate Similarity NPD4695 Discontinued
0.7879 Intermediate Similarity NPD4755 Approved
0.7755 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7755 Intermediate Similarity NPD7900 Approved
0.7723 Intermediate Similarity NPD5286 Approved
0.7723 Intermediate Similarity NPD4696 Approved
0.7723 Intermediate Similarity NPD5285 Approved
0.7723 Intermediate Similarity NPD4700 Approved
0.7708 Intermediate Similarity NPD5328 Approved
0.766 Intermediate Similarity NPD5329 Approved
0.7647 Intermediate Similarity NPD5223 Approved
0.76 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.76 Intermediate Similarity NPD5222 Approved
0.76 Intermediate Similarity NPD5221 Approved
0.76 Intermediate Similarity NPD4697 Phase 3
0.7579 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7573 Intermediate Similarity NPD5211 Phase 2
0.7573 Intermediate Similarity NPD5225 Approved
0.7573 Intermediate Similarity NPD5224 Approved
0.7573 Intermediate Similarity NPD5226 Approved
0.7573 Intermediate Similarity NPD4633 Approved
0.7553 Intermediate Similarity NPD4197 Approved
0.7551 Intermediate Similarity NPD6079 Approved
0.7525 Intermediate Similarity NPD5173 Approved
0.7524 Intermediate Similarity NPD6402 Approved
0.7524 Intermediate Similarity NPD5739 Approved
0.7524 Intermediate Similarity NPD6675 Approved
0.7524 Intermediate Similarity NPD7128 Approved
0.75 Intermediate Similarity NPD5175 Approved
0.75 Intermediate Similarity NPD3573 Approved
0.75 Intermediate Similarity NPD4754 Approved
0.75 Intermediate Similarity NPD5174 Approved
0.7473 Intermediate Similarity NPD3617 Approved
0.7429 Intermediate Similarity NPD5141 Approved
0.7426 Intermediate Similarity NPD7614 Phase 1
0.7396 Intermediate Similarity NPD4694 Approved
0.7396 Intermediate Similarity NPD3618 Phase 1
0.7396 Intermediate Similarity NPD5690 Phase 2
0.7396 Intermediate Similarity NPD5280 Approved
0.7383 Intermediate Similarity NPD6881 Approved
0.7383 Intermediate Similarity NPD7320 Approved
0.7383 Intermediate Similarity NPD6899 Approved
0.7358 Intermediate Similarity NPD4768 Approved
0.7358 Intermediate Similarity NPD4767 Approved
0.7347 Intermediate Similarity NPD4753 Phase 2
0.734 Intermediate Similarity NPD4223 Phase 3
0.734 Intermediate Similarity NPD4221 Approved
0.7339 Intermediate Similarity NPD8130 Phase 1
0.7315 Intermediate Similarity NPD6373 Approved
0.7315 Intermediate Similarity NPD6372 Approved
0.73 Intermediate Similarity NPD4202 Approved
0.729 Intermediate Similarity NPD5697 Approved
0.729 Intermediate Similarity NPD5701 Approved
0.7273 Intermediate Similarity NPD8297 Approved
0.7248 Intermediate Similarity NPD6883 Approved
0.7248 Intermediate Similarity NPD7290 Approved
0.7248 Intermediate Similarity NPD7102 Approved
0.7222 Intermediate Similarity NPD5128 Approved
0.7222 Intermediate Similarity NPD6011 Approved
0.7222 Intermediate Similarity NPD4730 Approved
0.7222 Intermediate Similarity NPD4729 Approved
0.7188 Intermediate Similarity NPD4786 Approved
0.7182 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7182 Intermediate Similarity NPD6649 Approved
0.7182 Intermediate Similarity NPD6847 Approved
0.7182 Intermediate Similarity NPD6869 Approved
0.7182 Intermediate Similarity NPD6617 Approved
0.7182 Intermediate Similarity NPD6650 Approved
0.7158 Intermediate Similarity NPD3667 Approved
0.7156 Intermediate Similarity NPD6012 Approved
0.7156 Intermediate Similarity NPD6013 Approved
0.7156 Intermediate Similarity NPD6014 Approved
0.7117 Intermediate Similarity NPD6882 Approved
0.7094 Intermediate Similarity NPD8328 Phase 3
0.7091 Intermediate Similarity NPD5134 Clinical (unspecified phase)
0.7091 Intermediate Similarity NPD4634 Approved
0.7091 Intermediate Similarity NPD5249 Phase 3
0.7091 Intermediate Similarity NPD5135 Approved
0.7091 Intermediate Similarity NPD5169 Approved
0.7091 Intermediate Similarity NPD5247 Approved
0.7091 Intermediate Similarity NPD5248 Approved
0.7091 Intermediate Similarity NPD5251 Approved
0.7091 Intermediate Similarity NPD5250 Approved
0.7087 Intermediate Similarity NPD7732 Phase 3
0.7041 Intermediate Similarity NPD5205 Approved
0.7041 Intermediate Similarity NPD4690 Approved
0.7041 Intermediate Similarity NPD4689 Approved
0.7041 Intermediate Similarity NPD4623 Approved
0.7041 Intermediate Similarity NPD4688 Approved
0.7041 Intermediate Similarity NPD4138 Approved
0.7041 Intermediate Similarity NPD4519 Discontinued
0.7041 Intermediate Similarity NPD4693 Phase 3
0.7041 Intermediate Similarity NPD5279 Phase 3
0.703 Intermediate Similarity NPD5284 Approved
0.703 Intermediate Similarity NPD5281 Approved
0.7027 Intermediate Similarity NPD5217 Approved
0.7027 Intermediate Similarity NPD5216 Approved
0.7027 Intermediate Similarity NPD5127 Approved
0.7027 Intermediate Similarity NPD5215 Approved
0.7021 Intermediate Similarity NPD7645 Phase 2
0.7019 Intermediate Similarity NPD6083 Phase 2
0.7019 Intermediate Similarity NPD6084 Phase 2
0.701 Intermediate Similarity NPD3666 Approved
0.701 Intermediate Similarity NPD3665 Phase 1
0.701 Intermediate Similarity NPD3133 Approved
0.7 Intermediate Similarity NPD6080 Approved
0.7 Intermediate Similarity NPD6673 Approved
0.7 Intermediate Similarity NPD6904 Approved
0.699 Remote Similarity NPD4629 Approved
0.699 Remote Similarity NPD5210 Approved
0.699 Remote Similarity NPD5695 Phase 3
0.6961 Remote Similarity NPD5133 Approved
0.6961 Remote Similarity NPD6399 Phase 3
0.6947 Remote Similarity NPD8259 Clinical (unspecified phase)
0.6909 Remote Similarity NPD5168 Approved
0.6903 Remote Similarity NPD4632 Approved
0.69 Remote Similarity NPD5737 Approved
0.69 Remote Similarity NPD6672 Approved
0.6897 Remote Similarity NPD7341 Phase 2
0.6875 Remote Similarity NPD8028 Phase 2
0.687 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6863 Remote Similarity NPD8035 Phase 2
0.6863 Remote Similarity NPD8034 Phase 2
0.6863 Remote Similarity NPD6050 Approved
0.6842 Remote Similarity NPD5167 Approved
0.6837 Remote Similarity NPD3668 Phase 3
0.6818 Remote Similarity NPD7331 Phase 2
0.681 Remote Similarity NPD6335 Approved
0.6792 Remote Similarity NPD5696 Approved
0.6783 Remote Similarity NPD6274 Approved
0.6771 Remote Similarity NPD7525 Registered
0.6768 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6765 Remote Similarity NPD5692 Phase 3
0.6752 Remote Similarity NPD7100 Approved
0.6752 Remote Similarity NPD7101 Approved
0.6733 Remote Similarity NPD4518 Approved
0.6733 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6727 Remote Similarity NPD6008 Approved
0.6724 Remote Similarity NPD6317 Approved
0.6724 Remote Similarity NPD6009 Approved
0.6721 Remote Similarity NPD7736 Approved
0.6701 Remote Similarity NPD4139 Approved
0.6701 Remote Similarity NPD4692 Approved
0.67 Remote Similarity NPD6098 Approved
0.6699 Remote Similarity NPD5694 Approved
0.6699 Remote Similarity NPD5693 Phase 1
0.6695 Remote Similarity NPD6059 Approved
0.6695 Remote Similarity NPD6054 Approved
0.6667 Remote Similarity NPD4195 Approved
0.6667 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6314 Approved
0.6667 Remote Similarity NPD6313 Approved
0.6639 Remote Similarity NPD6909 Approved
0.6639 Remote Similarity NPD6908 Approved
0.6638 Remote Similarity NPD6868 Approved
0.6606 Remote Similarity NPD5091 Approved
0.6602 Remote Similarity NPD4096 Approved
0.66 Remote Similarity NPD1696 Phase 3
0.6593 Remote Similarity NPD4137 Phase 3
0.6583 Remote Similarity NPD6370 Approved
0.6566 Remote Similarity NPD4788 Approved
0.6555 Remote Similarity NPD6319 Approved
0.6549 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6538 Remote Similarity NPD6411 Approved
0.6535 Remote Similarity NPD7521 Approved
0.6535 Remote Similarity NPD5330 Approved
0.6535 Remote Similarity NPD7334 Approved
0.6535 Remote Similarity NPD6409 Approved
0.6535 Remote Similarity NPD6684 Approved
0.6535 Remote Similarity NPD7146 Approved
0.6529 Remote Similarity NPD7604 Phase 2
0.6522 Remote Similarity NPD4747 Approved
0.6522 Remote Similarity NPD4691 Approved
0.6509 Remote Similarity NPD5654 Approved
0.6504 Remote Similarity NPD8293 Discontinued
0.65 Remote Similarity NPD6291 Clinical (unspecified phase)
0.65 Remote Similarity NPD5983 Phase 2
0.65 Remote Similarity NPD6016 Approved
0.65 Remote Similarity NPD6015 Approved
0.6489 Remote Similarity NPD5733 Approved
0.6484 Remote Similarity NPD5360 Phase 3
0.6484 Remote Similarity NPD5361 Clinical (unspecified phase)
0.6481 Remote Similarity NPD7638 Approved
0.6475 Remote Similarity NPD7492 Approved
0.6446 Remote Similarity NPD5988 Approved
0.6441 Remote Similarity NPD7115 Discovery
0.6423 Remote Similarity NPD6616 Approved
0.6423 Remote Similarity NPD6336 Discontinued
0.6422 Remote Similarity NPD7640 Approved
0.6422 Remote Similarity NPD7639 Approved
0.6415 Remote Similarity NPD6001 Approved
0.6408 Remote Similarity NPD5208 Approved
0.6408 Remote Similarity NPD6903 Approved
0.6389 Remote Similarity NPD5959 Approved
0.6372 Remote Similarity NPD6412 Phase 2
0.6371 Remote Similarity NPD7078 Approved

Structure

External Identifiers

PubChem CID   44558957
ChEMBL   CHEMBL503196
ZINC  

Physicochemical Properties

Molecular Weight:  604.45
ALogP:  1.0142
MLogP:  5.42
XLogP:  9.373
# Rotatable Bonds:  14
Polar Surface Area:  74.6
# H-Bond Aceptor:  4
# H-Bond Donor:  2
# Rings:  5
# Heavy Atoms:  44

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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