Natural Product: NPC318751

Natural Product ID:  NPC318751
Common Name:   Salvadione C
IUPAC Name:  
Synonyms:   Salvadione C
Molecular Formula:   C30H40O5
Standard InCHIKey:  FOQBZJXMAZZAIA-NQWLPLNFSA-N
Standard InCHI:  InChI=1S/C30H40O5/c1-7-18-13-19-21-25(6,33)16-34-30-23(32)29(21,17(2)3)22(31)26(14-18)12-9-20-24(4,5)10-8-11-27(20,35-30)15-28(19,26)30/h7,13,17,19-21,33H,1,8-12,14-16H2,2-6H3/t19-,20+,21+,25-,26+,27+,28+,29-,30+/m1/s1
Canonical SMILES:  C=CC1=C[C@@H]2[C@H]3[C@](C)(O)CO[C@@]45[C@@]62[C@](C1)(CC[C@@H]1[C@](C6)(O5)CCCC1(C)C)C(=O)[C@]3(C(C)C)C4=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
NPO24632 Salvia hydrangea Species Lamiaceae Eukaryota Aerial parts PMID[21967089]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT485 Organism Plasmodium falciparum (isolate K1 / Thailand) Plasmodium falciparum K1 IC50 = 1430 nM 21967089
NPT2 Others Unspecified Ratio IC50 = 86.6 21967089
NPT844 Organism Trypanosoma brucei rhodesiense Trypanosoma brucei rhodesiense IC50 = 4330 nM 21967089
NPT2 Others Unspecified Ratio IC50 = 43.2 21967089
NPT839 Cell Line L6 Rattus norvegicus IC50 > 90000 nM 21967089

  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 NPC318751 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
0.8145 Intermediate Similarity NPC188291
0.7984 Intermediate Similarity NPC243014
0.7983 Intermediate Similarity NPC152199
0.7983 Intermediate Similarity NPC235539
0.7983 Intermediate Similarity NPC134869
0.7969 Intermediate Similarity NPC242486
0.7969 Intermediate Similarity NPC15215
0.7953 Intermediate Similarity NPC100390
0.7953 Intermediate Similarity NPC254614
0.7937 Intermediate Similarity NPC264192
0.7899 Intermediate Similarity NPC474906
0.7899 Intermediate Similarity NPC18547
0.7886 Intermediate Similarity NPC275343
0.7851 Intermediate Similarity NPC297179
0.7838 Intermediate Similarity NPC272451
0.7833 Intermediate Similarity NPC259306
0.7833 Intermediate Similarity NPC328374
0.7833 Intermediate Similarity NPC474046
0.7833 Intermediate Similarity NPC96312
0.7833 Intermediate Similarity NPC40632
0.7833 Intermediate Similarity NPC470628
0.7833 Intermediate Similarity NPC251236
0.7812 Intermediate Similarity NPC6274
0.7812 Intermediate Similarity NPC254146
0.7812 Intermediate Similarity NPC33378
0.7797 Intermediate Similarity NPC201992
0.7759 Intermediate Similarity NPC144854
0.7759 Intermediate Similarity NPC3316
0.775 Intermediate Similarity NPC470919
0.775 Intermediate Similarity NPC469877
0.775 Intermediate Similarity NPC473798
0.7742 Intermediate Similarity NPC235438
0.7742 Intermediate Similarity NPC107966
0.7742 Intermediate Similarity NPC249848
0.7742 Intermediate Similarity NPC40775
0.7731 Intermediate Similarity NPC205534
0.7731 Intermediate Similarity NPC11252
0.7731 Intermediate Similarity NPC289312
0.7731 Intermediate Similarity NPC474516
0.7727 Intermediate Similarity NPC293086
0.7724 Intermediate Similarity NPC478051
0.7712 Intermediate Similarity NPC470065
0.7712 Intermediate Similarity NPC210005
0.7705 Intermediate Similarity NPC286347
0.7705 Intermediate Similarity NPC17772
0.7698 Intermediate Similarity NPC285091
0.7692 Intermediate Similarity NPC154608
0.7692 Intermediate Similarity NPC192813
0.7692 Intermediate Similarity NPC277017
0.7686 Intermediate Similarity NPC474734
0.768 Intermediate Similarity NPC235405
0.768 Intermediate Similarity NPC30735
0.768 Intermediate Similarity NPC281148
0.7672 Intermediate Similarity NPC181357
0.7667 Intermediate Similarity NPC51978
0.7667 Intermediate Similarity NPC49451
0.7661 Intermediate Similarity NPC75417
0.7642 Intermediate Similarity NPC208381
0.7642 Intermediate Similarity NPC157868
0.7642 Intermediate Similarity NPC180550
0.7642 Intermediate Similarity NPC114441
0.7642 Intermediate Similarity NPC6377
0.7642 Intermediate Similarity NPC469945
0.7642 Intermediate Similarity NPC192791
0.7642 Intermediate Similarity NPC473920
0.7642 Intermediate Similarity NPC39211
0.7642 Intermediate Similarity NPC35405
0.7642 Intermediate Similarity NPC475171
0.7642 Intermediate Similarity NPC11551
0.7642 Intermediate Similarity NPC472949
0.7642 Intermediate Similarity NPC309780
0.7642 Intermediate Similarity NPC268958
0.7642 Intermediate Similarity NPC473884
0.7642 Intermediate Similarity NPC214484
0.7627 Intermediate Similarity NPC141350
0.7623 Intermediate Similarity NPC473590
0.7623 Intermediate Similarity NPC224121
0.7619 Intermediate Similarity NPC470477
0.7603 Intermediate Similarity NPC247069
0.76 Intermediate Similarity NPC162574
0.76 Intermediate Similarity NPC471965
0.7583 Intermediate Similarity NPC302146
0.7583 Intermediate Similarity NPC193948
0.7583 Intermediate Similarity NPC130427
0.7581 Intermediate Similarity NPC109607
0.7581 Intermediate Similarity NPC107338
0.7581 Intermediate Similarity NPC472257
0.7581 Intermediate Similarity NPC472076
0.7581 Intermediate Similarity NPC294112
0.7581 Intermediate Similarity NPC472075
0.7578 Intermediate Similarity NPC473888
0.7563 Intermediate Similarity NPC474567
0.7561 Intermediate Similarity NPC109588
0.7561 Intermediate Similarity NPC204552
0.7561 Intermediate Similarity NPC188667
0.7561 Intermediate Similarity NPC470776
0.7559 Intermediate Similarity NPC469947
0.7559 Intermediate Similarity NPC470218
0.7559 Intermediate Similarity NPC181066
0.7544 Intermediate Similarity NPC474802
0.7542 Intermediate Similarity NPC272576
0.7542 Intermediate Similarity NPC168883
0.7542 Intermediate Similarity NPC258323
0.7541 Intermediate Similarity NPC16081
0.7541 Intermediate Similarity NPC173686
0.7541 Intermediate Similarity NPC473126
0.7541 Intermediate Similarity NPC179626
0.754 Intermediate Similarity NPC262199
0.754 Intermediate Similarity NPC472077
0.754 Intermediate Similarity NPC471964
0.754 Intermediate Similarity NPC471961
0.754 Intermediate Similarity NPC18945
0.754 Intermediate Similarity NPC105926
0.754 Intermediate Similarity NPC91693
0.754 Intermediate Similarity NPC202666
0.754 Intermediate Similarity NPC478066
0.754 Intermediate Similarity NPC472078
0.754 Intermediate Similarity NPC227397
0.754 Intermediate Similarity NPC14617
0.754 Intermediate Similarity NPC265557
0.7538 Intermediate Similarity NPC102316
0.7521 Intermediate Similarity NPC178981
0.7521 Intermediate Similarity NPC62696
0.7521 Intermediate Similarity NPC293038
0.7521 Intermediate Similarity NPC477266
0.7521 Intermediate Similarity NPC474271
0.7521 Intermediate Similarity NPC102352
0.752 Intermediate Similarity NPC114484
0.752 Intermediate Similarity NPC242840
0.752 Intermediate Similarity NPC104372
0.752 Intermediate Similarity NPC102822
0.752 Intermediate Similarity NPC22956
0.752 Intermediate Similarity NPC64715
0.752 Intermediate Similarity NPC86222
0.752 Intermediate Similarity NPC222580
0.752 Intermediate Similarity NPC62725
0.752 Intermediate Similarity NPC223301
0.752 Intermediate Similarity NPC31838
0.752 Intermediate Similarity NPC477046
0.752 Intermediate Similarity NPC301449
0.752 Intermediate Similarity NPC470779
0.752 Intermediate Similarity NPC31193
0.752 Intermediate Similarity NPC297263
0.752 Intermediate Similarity NPC159309
0.752 Intermediate Similarity NPC171544
0.752 Intermediate Similarity NPC11242
0.75 Intermediate Similarity NPC469488
0.75 Intermediate Similarity NPC471243
0.75 Intermediate Similarity NPC475775
0.75 Intermediate Similarity NPC476529
0.75 Intermediate Similarity NPC470777
0.75 Intermediate Similarity NPC275583
0.75 Intermediate Similarity NPC279143
0.748 Intermediate Similarity NPC474654
0.748 Intermediate Similarity NPC97908
0.748 Intermediate Similarity NPC122033
0.748 Intermediate Similarity NPC477116
0.748 Intermediate Similarity NPC247315
0.748 Intermediate Similarity NPC287343
0.748 Intermediate Similarity NPC309433
0.748 Intermediate Similarity NPC23046
0.748 Intermediate Similarity NPC470922
0.748 Intermediate Similarity NPC470854
0.748 Intermediate Similarity NPC476729
0.748 Intermediate Similarity NPC471963
0.748 Intermediate Similarity NPC471962
0.748 Intermediate Similarity NPC27999
0.7479 Intermediate Similarity NPC300026
0.7479 Intermediate Similarity NPC143706
0.7479 Intermediate Similarity NPC153239
0.7479 Intermediate Similarity NPC472534
0.7479 Intermediate Similarity NPC27814
0.7478 Intermediate Similarity NPC472702
0.7478 Intermediate Similarity NPC472685
0.746 Intermediate Similarity NPC475591
0.746 Intermediate Similarity NPC213952
0.746 Intermediate Similarity NPC312833
0.746 Intermediate Similarity NPC187290
0.746 Intermediate Similarity NPC21691
0.746 Intermediate Similarity NPC236870
0.746 Intermediate Similarity NPC80986
0.746 Intermediate Similarity NPC313528
0.746 Intermediate Similarity NPC4749
0.746 Intermediate Similarity NPC10607
0.7459 Intermediate Similarity NPC102088
0.7459 Intermediate Similarity NPC474557
0.7459 Intermediate Similarity NPC323821
0.7459 Intermediate Similarity NPC143268
0.7459 Intermediate Similarity NPC268238
0.7459 Intermediate Similarity NPC473898
0.7459 Intermediate Similarity NPC475633
0.7459 Intermediate Similarity NPC471398
0.7459 Intermediate Similarity NPC45218
0.7458 Intermediate Similarity NPC230541
0.7458 Intermediate Similarity NPC473169
0.7458 Intermediate Similarity NPC293512
0.7456 Intermediate Similarity NPC474724
0.7442 Intermediate Similarity NPC475636
0.7442 Intermediate Similarity NPC295220
0.744 Intermediate Similarity NPC109973

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC318751 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
0.7724 Intermediate Similarity NPD6054 Approved
0.76 Intermediate Similarity NPD6370 Approved
0.7581 Intermediate Similarity NPD6059 Approved
0.7578 Intermediate Similarity NPD7736 Approved
0.754 Intermediate Similarity NPD8328 Phase 3
0.752 Intermediate Similarity NPD6016 Approved
0.752 Intermediate Similarity NPD6015 Approved
0.748 Intermediate Similarity NPD6009 Approved
0.748 Intermediate Similarity NPD7492 Approved
0.746 Intermediate Similarity NPD5988 Approved
0.7422 Intermediate Similarity NPD6616 Approved
0.7364 Intermediate Similarity NPD7078 Approved
0.7339 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.7295 Intermediate Similarity NPD6882 Approved
0.7236 Intermediate Similarity NPD4632 Approved
0.7231 Intermediate Similarity NPD8293 Discontinued
0.7176 Intermediate Similarity NPD6033 Approved
0.7167 Intermediate Similarity NPD6412 Phase 2
0.7165 Intermediate Similarity NPD6319 Approved
0.7154 Intermediate Similarity NPD8297 Approved
0.7107 Intermediate Similarity NPD6881 Approved
0.7107 Intermediate Similarity NPD6899 Approved
0.7083 Intermediate Similarity NPD6402 Approved
0.7083 Intermediate Similarity NPD5739 Approved
0.7083 Intermediate Similarity NPD6675 Approved
0.7083 Intermediate Similarity NPD7128 Approved
0.7073 Intermediate Similarity NPD6650 Approved
0.7073 Intermediate Similarity NPD6649 Approved
0.7049 Intermediate Similarity NPD6372 Approved
0.7049 Intermediate Similarity NPD6373 Approved
0.7049 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.7025 Intermediate Similarity NPD5697 Approved
0.7 Intermediate Similarity NPD7604 Phase 2
0.6992 Remote Similarity NPD6883 Approved
0.6992 Remote Similarity NPD7290 Approved
0.6992 Remote Similarity NPD7102 Approved
0.6977 Remote Similarity NPD5983 Phase 2
0.6967 Remote Similarity NPD7320 Approved
0.6967 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6967 Remote Similarity NPD6011 Approved
0.6935 Remote Similarity NPD6847 Approved
0.6935 Remote Similarity NPD6617 Approved
0.6935 Remote Similarity NPD6869 Approved
0.6935 Remote Similarity NPD8130 Phase 1
0.6923 Remote Similarity NPD7902 Approved
0.6911 Remote Similarity NPD6014 Approved
0.6911 Remote Similarity NPD6013 Approved
0.6911 Remote Similarity NPD6012 Approved
0.6894 Remote Similarity NPD6336 Discontinued
0.6894 Remote Similarity NPD7507 Approved
0.6885 Remote Similarity NPD5701 Approved
0.6864 Remote Similarity NPD5696 Approved
0.6855 Remote Similarity NPD4634 Approved
0.6846 Remote Similarity NPD8515 Approved
0.6846 Remote Similarity NPD8517 Approved
0.6846 Remote Similarity NPD8516 Approved
0.6846 Remote Similarity NPD8513 Phase 3
0.681 Remote Similarity NPD7748 Approved
0.6807 Remote Similarity NPD5285 Approved
0.6807 Remote Similarity NPD4696 Approved
0.6807 Remote Similarity NPD5286 Approved
0.6803 Remote Similarity NPD6008 Approved
0.68 Remote Similarity NPD6401 Clinical (unspecified phase)
0.678 Remote Similarity NPD4755 Approved
0.675 Remote Similarity NPD5223 Approved
0.6741 Remote Similarity NPD7319 Approved
0.6724 Remote Similarity NPD6399 Phase 3
0.6695 Remote Similarity NPD5221 Approved
0.6695 Remote Similarity NPD5222 Approved
0.6695 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6695 Remote Similarity NPD4697 Phase 3
0.6694 Remote Similarity NPD5224 Approved
0.6694 Remote Similarity NPD5225 Approved
0.6694 Remote Similarity NPD5211 Phase 2
0.6694 Remote Similarity NPD5226 Approved
0.6694 Remote Similarity NPD4633 Approved
0.6667 Remote Similarity NPD4700 Approved
0.6667 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7900 Approved
0.6639 Remote Similarity NPD5173 Approved
0.6639 Remote Similarity NPD5174 Approved
0.6639 Remote Similarity NPD6084 Phase 2
0.6639 Remote Similarity NPD5175 Approved
0.6639 Remote Similarity NPD6083 Phase 2
0.6638 Remote Similarity NPD7515 Phase 2
0.6638 Remote Similarity NPD6079 Approved
0.6617 Remote Similarity NPD6067 Discontinued
0.6615 Remote Similarity NPD6335 Approved
0.661 Remote Similarity NPD4629 Approved
0.661 Remote Similarity NPD5210 Approved
0.6609 Remote Similarity NPD5328 Approved
0.6585 Remote Similarity NPD5141 Approved
0.6579 Remote Similarity NPD3573 Approved
0.6565 Remote Similarity NPD7101 Approved
0.6565 Remote Similarity NPD7100 Approved
0.6562 Remote Similarity NPD8133 Approved
0.656 Remote Similarity NPD6686 Approved
0.6538 Remote Similarity NPD6317 Approved
0.6538 Remote Similarity NPD7115 Discovery
0.6522 Remote Similarity NPD7260 Phase 2
0.6522 Remote Similarity NPD6672 Approved
0.6522 Remote Similarity NPD5737 Approved
0.6504 Remote Similarity NPD4754 Approved
0.6496 Remote Similarity NPD8034 Phase 2
0.6496 Remote Similarity NPD8035 Phase 2
0.6491 Remote Similarity NPD3618 Phase 1
0.6489 Remote Similarity NPD6313 Approved
0.6489 Remote Similarity NPD6314 Approved
0.6471 Remote Similarity NPD8074 Phase 3
0.6471 Remote Similarity NPD5695 Phase 3
0.6466 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6466 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6466 Remote Similarity NPD7503 Approved
0.6462 Remote Similarity NPD6274 Approved
0.6462 Remote Similarity NPD6868 Approved
0.6449 Remote Similarity NPD5956 Approved
0.6446 Remote Similarity NPD7638 Approved
0.6429 Remote Similarity NPD4729 Approved
0.6429 Remote Similarity NPD4730 Approved
0.6406 Remote Similarity NPD8413 Clinical (unspecified phase)
0.64 Remote Similarity NPD4768 Approved
0.64 Remote Similarity NPD4767 Approved
0.6393 Remote Similarity NPD7639 Approved
0.6393 Remote Similarity NPD7640 Approved
0.6378 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6364 Remote Similarity NPD7328 Approved
0.6364 Remote Similarity NPD7327 Approved
0.6356 Remote Similarity NPD5281 Approved
0.6356 Remote Similarity NPD5694 Approved
0.6356 Remote Similarity NPD6050 Approved
0.6356 Remote Similarity NPD6411 Approved
0.6356 Remote Similarity NPD5284 Approved
0.6348 Remote Similarity NPD6098 Approved
0.6343 Remote Similarity NPD6921 Approved
0.6343 Remote Similarity NPD6908 Approved
0.6343 Remote Similarity NPD6909 Approved
0.6333 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6328 Remote Similarity NPD5135 Approved
0.6328 Remote Similarity NPD5250 Approved
0.6328 Remote Similarity NPD5249 Phase 3
0.6328 Remote Similarity NPD5247 Approved
0.6328 Remote Similarity NPD5169 Approved
0.6328 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6328 Remote Similarity NPD5251 Approved
0.6328 Remote Similarity NPD5248 Approved
0.6328 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6325 Remote Similarity NPD6673 Approved
0.6325 Remote Similarity NPD6080 Approved
0.6325 Remote Similarity NPD6904 Approved
0.6325 Remote Similarity NPD4753 Phase 2
0.632 Remote Similarity NPD8170 Clinical (unspecified phase)
0.6316 Remote Similarity NPD7516 Approved
0.6316 Remote Similarity NPD4786 Approved
0.6303 Remote Similarity NPD4202 Approved
0.6299 Remote Similarity NPD5128 Approved
0.6283 Remote Similarity NPD3667 Approved
0.6279 Remote Similarity NPD5215 Approved
0.6279 Remote Similarity NPD5127 Approved
0.6279 Remote Similarity NPD5216 Approved
0.6279 Remote Similarity NPD5217 Approved
0.6271 Remote Similarity NPD5692 Phase 3
0.6269 Remote Similarity NPD8377 Approved
0.6269 Remote Similarity NPD8294 Approved
0.6261 Remote Similarity NPD5329 Approved
0.625 Remote Similarity NPD5282 Discontinued
0.6241 Remote Similarity NPD6845 Suspended
0.6239 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6222 Remote Similarity NPD8335 Approved
0.6222 Remote Similarity NPD8378 Approved
0.6222 Remote Similarity NPD8296 Approved
0.6222 Remote Similarity NPD8380 Approved
0.6222 Remote Similarity NPD8033 Approved
0.6222 Remote Similarity NPD8379 Approved
0.6207 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6207 Remote Similarity NPD4694 Approved
0.6207 Remote Similarity NPD5280 Approved
0.6207 Remote Similarity NPD5279 Phase 3
0.6186 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6186 Remote Similarity NPD6101 Approved
0.6174 Remote Similarity NPD4197 Approved
0.6172 Remote Similarity NPD5168 Approved
0.6167 Remote Similarity NPD5779 Approved
0.6167 Remote Similarity NPD5778 Approved
0.6136 Remote Similarity NPD5167 Approved
0.6134 Remote Similarity NPD5207 Approved
0.6121 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6106 Remote Similarity NPD4695 Discontinued
0.6106 Remote Similarity NPD7525 Registered
0.6094 Remote Similarity NPD6614 Approved
0.6094 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6083 Remote Similarity NPD5693 Phase 1
0.6069 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6068 Remote Similarity NPD7146 Approved
0.6068 Remote Similarity NPD5330 Approved
0.6068 Remote Similarity NPD7521 Approved
0.6068 Remote Similarity NPD6409 Approved
0.6068 Remote Similarity NPD6684 Approved
0.6068 Remote Similarity NPD5690 Phase 2
0.6068 Remote Similarity NPD7334 Approved
0.6048 Remote Similarity NPD4225 Approved

Structure

External Identifiers

PubChem CID   56600678
ChEMBL   CHEMBL1928366
ZINC  

Physicochemical Properties

Molecular Weight:  480.29
ALogP:  0.7919
MLogP:  4.21
XLogP:  4.501
# Rotatable Bonds:  8
Polar Surface Area:  72.83
# H-Bond Aceptor:  5
# H-Bond Donor:  1
# Rings:  4
# Heavy Atoms:  35

Download Data

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