Natural Product: NPC258985

Natural Product ID:  NPC258985
Common Name:   Xanthanthusin E
IUPAC Name:  
Synonyms:   Xanthanthusin E
Molecular Formula:   C19H24O6
Standard InCHIKey:  SGKJGYABTMHZMR-LJQANCHMSA-N
Standard InCHI:  InChI=1S/C19H24O6/c1-9(2)10-13(20)11(16(23)24)12(15(22)14(10)21)19(5)8-6-7-18(3,4)17(19)25/h9,21H,6-8H2,1-5H3,(H,23,24)/t19-/m1/s1
Canonical SMILES:  OC(=O)C1=C(C(=O)C(=C(C1=O)C(C)C)O)[C@@]1(C)CCCC(C1=O)(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
NPO18923 Coleus xanthanthus Species Lamiaceae Eukaryota PMID[12027731]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT111 Cell Line K562 Homo sapiens IC50 = 34.3 ug/ml 10.1007/s00044-010-9399-x

  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 NPC258985 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
0.8293 Intermediate Similarity NPC192329
0.8256 Intermediate Similarity NPC229717
0.825 Intermediate Similarity NPC175079
0.8171 Intermediate Similarity NPC30321
0.8161 Intermediate Similarity NPC220930
0.8161 Intermediate Similarity NPC272039
0.8118 Intermediate Similarity NPC105803
0.8111 Intermediate Similarity NPC271652
0.8068 Intermediate Similarity NPC53454
0.7931 Intermediate Similarity NPC474680
0.7931 Intermediate Similarity NPC90287
0.7927 Intermediate Similarity NPC92080
0.7917 Intermediate Similarity NPC230918
0.7882 Intermediate Similarity NPC44963
0.7882 Intermediate Similarity NPC472684
0.7865 Intermediate Similarity NPC72397
0.7865 Intermediate Similarity NPC307298
0.7831 Intermediate Similarity NPC97377
0.7831 Intermediate Similarity NPC61952
0.7778 Intermediate Similarity NPC472676
0.7778 Intermediate Similarity NPC472688
0.7778 Intermediate Similarity NPC280833
0.7753 Intermediate Similarity NPC476409
0.7742 Intermediate Similarity NPC777
0.7738 Intermediate Similarity NPC198240
0.7717 Intermediate Similarity NPC131840
0.7711 Intermediate Similarity NPC180886
0.7701 Intermediate Similarity NPC49019
0.7692 Intermediate Similarity NPC113393
0.7674 Intermediate Similarity NPC55869
0.7674 Intermediate Similarity NPC189237
0.7674 Intermediate Similarity NPC275766
0.7667 Intermediate Similarity NPC58271
0.764 Intermediate Similarity NPC477478
0.764 Intermediate Similarity NPC477479
0.7629 Intermediate Similarity NPC80781
0.7619 Intermediate Similarity NPC165711
0.7609 Intermediate Similarity NPC45579
0.7582 Intermediate Similarity NPC112454
0.7582 Intermediate Similarity NPC474918
0.7582 Intermediate Similarity NPC118011
0.7582 Intermediate Similarity NPC36668
0.7579 Intermediate Similarity NPC208094
0.7561 Intermediate Similarity NPC247586
0.7558 Intermediate Similarity NPC279667
0.7558 Intermediate Similarity NPC108955
0.7553 Intermediate Similarity NPC295347
0.7529 Intermediate Similarity NPC476808
0.7529 Intermediate Similarity NPC74410
0.7528 Intermediate Similarity NPC473038
0.7528 Intermediate Similarity NPC255174
0.7527 Intermediate Similarity NPC476416
0.75 Intermediate Similarity NPC97913
0.7474 Intermediate Similarity NPC476797
0.7474 Intermediate Similarity NPC272411
0.7474 Intermediate Similarity NPC184065
0.7473 Intermediate Similarity NPC143025
0.7473 Intermediate Similarity NPC48107
0.7471 Intermediate Similarity NPC225515
0.7471 Intermediate Similarity NPC278459
0.7444 Intermediate Similarity NPC475181
0.7423 Intermediate Similarity NPC174314
0.7423 Intermediate Similarity NPC198880
0.7419 Intermediate Similarity NPC174167
0.7419 Intermediate Similarity NPC470036
0.7416 Intermediate Similarity NPC164577
0.7416 Intermediate Similarity NPC472865
0.7396 Intermediate Similarity NPC478233
0.7386 Intermediate Similarity NPC238991
0.7386 Intermediate Similarity NPC477271
0.7386 Intermediate Similarity NPC129080
0.7386 Intermediate Similarity NPC477270
0.7386 Intermediate Similarity NPC227925
0.7386 Intermediate Similarity NPC302661
0.7386 Intermediate Similarity NPC103486
0.7386 Intermediate Similarity NPC477269
0.7381 Intermediate Similarity NPC469803
0.7381 Intermediate Similarity NPC476795
0.7368 Intermediate Similarity NPC469995
0.7368 Intermediate Similarity NPC174948
0.7368 Intermediate Similarity NPC173875
0.7368 Intermediate Similarity NPC318282
0.7363 Intermediate Similarity NPC476079
0.7363 Intermediate Similarity NPC136948
0.7363 Intermediate Similarity NPC103743
0.7363 Intermediate Similarity NPC113370
0.7356 Intermediate Similarity NPC26139
0.7356 Intermediate Similarity NPC18955
0.7349 Intermediate Similarity NPC56747
0.7349 Intermediate Similarity NPC130016
0.7349 Intermediate Similarity NPC180015
0.7349 Intermediate Similarity NPC109576
0.7347 Intermediate Similarity NPC302537
0.7347 Intermediate Similarity NPC475867
0.7347 Intermediate Similarity NPC163372
0.7347 Intermediate Similarity NPC270155
0.7347 Intermediate Similarity NPC472643
0.7347 Intermediate Similarity NPC323441
0.734 Intermediate Similarity NPC263780
0.734 Intermediate Similarity NPC477435
0.734 Intermediate Similarity NPC477436
0.7333 Intermediate Similarity NPC8518
0.7333 Intermediate Similarity NPC307112
0.7333 Intermediate Similarity NPC70685
0.7333 Intermediate Similarity NPC470177
0.7333 Intermediate Similarity NPC6185
0.7333 Intermediate Similarity NPC241512
0.7333 Intermediate Similarity NPC132228
0.7333 Intermediate Similarity NPC263997
0.7327 Intermediate Similarity NPC472925
0.7326 Intermediate Similarity NPC471409
0.7326 Intermediate Similarity NPC179028
0.7326 Intermediate Similarity NPC62336
0.7326 Intermediate Similarity NPC275494
0.7326 Intermediate Similarity NPC315765
0.732 Intermediate Similarity NPC10364
0.7312 Intermediate Similarity NPC51486
0.7312 Intermediate Similarity NPC476437
0.7312 Intermediate Similarity NPC252737
0.7312 Intermediate Similarity NPC476369
0.7303 Intermediate Similarity NPC102197
0.7303 Intermediate Similarity NPC168188
0.7303 Intermediate Similarity NPC470015
0.7303 Intermediate Similarity NPC477373
0.73 Intermediate Similarity NPC213366
0.7294 Intermediate Similarity NPC110725
0.7294 Intermediate Similarity NPC263582
0.7292 Intermediate Similarity NPC40765
0.7292 Intermediate Similarity NPC243525
0.7292 Intermediate Similarity NPC328371
0.7292 Intermediate Similarity NPC269492
0.7283 Intermediate Similarity NPC472008
0.7273 Intermediate Similarity NPC477372
0.7273 Intermediate Similarity NPC40228
0.7273 Intermediate Similarity NPC308726
0.7273 Intermediate Similarity NPC119601
0.7273 Intermediate Similarity NPC471898
0.7273 Intermediate Similarity NPC282293
0.7273 Intermediate Similarity NPC90055
0.7263 Intermediate Similarity NPC184870
0.7263 Intermediate Similarity NPC474882
0.7263 Intermediate Similarity NPC476415
0.7263 Intermediate Similarity NPC53685
0.7263 Intermediate Similarity NPC477439
0.7253 Intermediate Similarity NPC473226
0.7253 Intermediate Similarity NPC202394
0.7253 Intermediate Similarity NPC322159
0.7253 Intermediate Similarity NPC198761
0.7253 Intermediate Similarity NPC476982
0.7253 Intermediate Similarity NPC472869
0.7253 Intermediate Similarity NPC472009
0.7253 Intermediate Similarity NPC194417
0.7253 Intermediate Similarity NPC261721
0.7245 Intermediate Similarity NPC205899
0.7245 Intermediate Similarity NPC472644
0.7245 Intermediate Similarity NPC327431
0.7241 Intermediate Similarity NPC150646
0.7241 Intermediate Similarity NPC308038
0.7241 Intermediate Similarity NPC281138
0.7241 Intermediate Similarity NPC246458
0.7234 Intermediate Similarity NPC107690
0.7234 Intermediate Similarity NPC172101
0.7234 Intermediate Similarity NPC73457
0.7229 Intermediate Similarity NPC84790
0.7229 Intermediate Similarity NPC133253
0.7228 Intermediate Similarity NPC51452
0.7228 Intermediate Similarity NPC1679
0.7228 Intermediate Similarity NPC292588
0.7222 Intermediate Similarity NPC209882
0.7222 Intermediate Similarity NPC476412
0.7222 Intermediate Similarity NPC19849
0.7222 Intermediate Similarity NPC96095
0.7222 Intermediate Similarity NPC248758
0.7222 Intermediate Similarity NPC472864
0.7216 Intermediate Similarity NPC170131
0.7216 Intermediate Similarity NPC106557
0.7216 Intermediate Similarity NPC18319
0.7209 Intermediate Similarity NPC266193
0.7209 Intermediate Similarity NPC257666
0.7209 Intermediate Similarity NPC74995
0.7204 Intermediate Similarity NPC477973
0.7204 Intermediate Similarity NPC262043
0.7204 Intermediate Similarity NPC5509
0.7204 Intermediate Similarity NPC214387
0.72 Intermediate Similarity NPC320154
0.72 Intermediate Similarity NPC474207
0.72 Intermediate Similarity NPC251017
0.72 Intermediate Similarity NPC474330
0.7195 Intermediate Similarity NPC67608
0.7191 Intermediate Similarity NPC133391
0.7188 Intermediate Similarity NPC147232
0.7188 Intermediate Similarity NPC209355
0.7188 Intermediate Similarity NPC37646
0.7188 Intermediate Similarity NPC477437
0.7188 Intermediate Similarity NPC477438
0.7184 Intermediate Similarity NPC220705
0.7176 Intermediate Similarity NPC472327
0.7176 Intermediate Similarity NPC476346
0.7174 Intermediate Similarity NPC181327
0.7174 Intermediate Similarity NPC472007

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC258985 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
0.7765 Intermediate Similarity NPD4695 Discontinued
0.7582 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.7529 Intermediate Similarity NPD3617 Approved
0.7386 Intermediate Similarity NPD4800 Clinical (unspecified phase)
0.7125 Intermediate Similarity NPD7341 Phase 2
0.7011 Intermediate Similarity NPD4756 Discovery
0.6882 Remote Similarity NPD4519 Discontinued
0.6882 Remote Similarity NPD4623 Approved
0.6882 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6875 Remote Similarity NPD2664 Clinical (unspecified phase)
0.6848 Remote Similarity NPD4197 Approved
0.6837 Remote Similarity NPD5695 Phase 3
0.6774 Remote Similarity NPD5329 Approved
0.6737 Remote Similarity NPD5737 Approved
0.6737 Remote Similarity NPD6672 Approved
0.6702 Remote Similarity NPD5280 Approved
0.6702 Remote Similarity NPD5279 Phase 3
0.6702 Remote Similarity NPD5690 Phase 2
0.6702 Remote Similarity NPD4694 Approved
0.6701 Remote Similarity NPD5693 Phase 1
0.6701 Remote Similarity NPD7515 Phase 2
0.6701 Remote Similarity NPD5284 Approved
0.6701 Remote Similarity NPD5281 Approved
0.67 Remote Similarity NPD6083 Phase 2
0.67 Remote Similarity NPD6084 Phase 2
0.6667 Remote Similarity NPD4753 Phase 2
0.6667 Remote Similarity NPD6080 Approved
0.6667 Remote Similarity NPD6904 Approved
0.6667 Remote Similarity NPD6673 Approved
0.6634 Remote Similarity NPD5696 Approved
0.6633 Remote Similarity NPD6399 Phase 3
0.6633 Remote Similarity NPD5779 Approved
0.6633 Remote Similarity NPD5778 Approved
0.663 Remote Similarity NPD4223 Phase 3
0.663 Remote Similarity NPD4752 Clinical (unspecified phase)
0.663 Remote Similarity NPD4221 Approved
0.6627 Remote Similarity NPD3704 Approved
0.6627 Remote Similarity NPD7331 Phase 2
0.66 Remote Similarity NPD7614 Phase 1
0.66 Remote Similarity NPD4697 Phase 3
0.6598 Remote Similarity NPD5785 Approved
0.6598 Remote Similarity NPD5692 Phase 3
0.6596 Remote Similarity NPD5363 Approved
0.6566 Remote Similarity NPD7748 Approved
0.6535 Remote Similarity NPD7902 Approved
0.6531 Remote Similarity NPD5694 Approved
0.6531 Remote Similarity NPD6050 Approved
0.6531 Remote Similarity NPD6411 Approved
0.6526 Remote Similarity NPD5786 Approved
0.6489 Remote Similarity NPD3133 Approved
0.6489 Remote Similarity NPD3666 Approved
0.6489 Remote Similarity NPD3665 Phase 1
0.6471 Remote Similarity NPD4225 Approved
0.6458 Remote Similarity NPD3573 Approved
0.6452 Remote Similarity NPD4269 Approved
0.6452 Remote Similarity NPD4270 Approved
0.6452 Remote Similarity NPD3667 Approved
0.6442 Remote Similarity NPD5211 Phase 2
0.6436 Remote Similarity NPD5221 Approved
0.6436 Remote Similarity NPD5222 Approved
0.6436 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6421 Remote Similarity NPD1696 Phase 3
0.6421 Remote Similarity NPD1694 Approved
0.6415 Remote Similarity NPD5739 Approved
0.6415 Remote Similarity NPD6675 Approved
0.6415 Remote Similarity NPD6402 Approved
0.6415 Remote Similarity NPD7128 Approved
0.64 Remote Similarity NPD5282 Discontinued
0.6389 Remote Similarity NPD6373 Approved
0.6389 Remote Similarity NPD6372 Approved
0.6374 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6373 Remote Similarity NPD4755 Approved
0.6373 Remote Similarity NPD5173 Approved
0.6355 Remote Similarity NPD5697 Approved
0.6355 Remote Similarity NPD5701 Approved
0.6354 Remote Similarity NPD7334 Approved
0.6354 Remote Similarity NPD6098 Approved
0.6354 Remote Similarity NPD4689 Approved
0.6354 Remote Similarity NPD3618 Phase 1
0.6354 Remote Similarity NPD6409 Approved
0.6354 Remote Similarity NPD5330 Approved
0.6354 Remote Similarity NPD4138 Approved
0.6354 Remote Similarity NPD7146 Approved
0.6354 Remote Similarity NPD6684 Approved
0.6354 Remote Similarity NPD4688 Approved
0.6354 Remote Similarity NPD5205 Approved
0.6354 Remote Similarity NPD7521 Approved
0.6354 Remote Similarity NPD4693 Phase 3
0.6354 Remote Similarity NPD4690 Approved
0.6344 Remote Similarity NPD4692 Approved
0.6344 Remote Similarity NPD4139 Approved
0.6337 Remote Similarity NPD5210 Approved
0.6337 Remote Similarity NPD4629 Approved
0.6337 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6337 Remote Similarity NPD5654 Approved
0.6327 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6327 Remote Similarity NPD6101 Approved
0.6327 Remote Similarity NPD5328 Approved
0.6321 Remote Similarity NPD5141 Approved
0.6316 Remote Similarity NPD4786 Approved
0.63 Remote Similarity NPD5133 Approved
0.6296 Remote Similarity NPD7320 Approved
0.6296 Remote Similarity NPD6899 Approved
0.6296 Remote Similarity NPD6011 Approved
0.6296 Remote Similarity NPD6881 Approved
0.6283 Remote Similarity NPD7115 Discovery
0.6273 Remote Similarity NPD6650 Approved
0.6273 Remote Similarity NPD6649 Approved
0.625 Remote Similarity NPD4700 Approved
0.625 Remote Similarity NPD5285 Approved
0.625 Remote Similarity NPD4696 Approved
0.625 Remote Similarity NPD5286 Approved
0.625 Remote Similarity NPD6404 Discontinued
0.6239 Remote Similarity NPD6012 Approved
0.6239 Remote Similarity NPD6014 Approved
0.6239 Remote Similarity NPD6013 Approved
0.6238 Remote Similarity NPD7900 Approved
0.6238 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6237 Remote Similarity NPD8259 Clinical (unspecified phase)
0.6237 Remote Similarity NPD4252 Approved
0.6224 Remote Similarity NPD5208 Approved
0.6224 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6224 Remote Similarity NPD6903 Approved
0.6214 Remote Similarity NPD5959 Approved
0.6211 Remote Similarity NPD7154 Phase 3
0.62 Remote Similarity NPD6079 Approved
0.619 Remote Similarity NPD5223 Approved
0.6182 Remote Similarity NPD7290 Approved
0.6182 Remote Similarity NPD6883 Approved
0.6182 Remote Similarity NPD7102 Approved
0.6146 Remote Similarity NPD3668 Phase 3
0.6132 Remote Similarity NPD5224 Approved
0.6132 Remote Similarity NPD5226 Approved
0.6132 Remote Similarity NPD4633 Approved
0.6132 Remote Similarity NPD5225 Approved
0.6126 Remote Similarity NPD6847 Approved
0.6126 Remote Similarity NPD8130 Phase 1
0.6126 Remote Similarity NPD6869 Approved
0.6126 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6126 Remote Similarity NPD6617 Approved
0.6117 Remote Similarity NPD7732 Phase 3
0.61 Remote Similarity NPD5207 Approved
0.61 Remote Similarity NPD4096 Approved
0.6095 Remote Similarity NPD7639 Approved
0.6095 Remote Similarity NPD7640 Approved
0.6076 Remote Similarity NPD615 Clinical (unspecified phase)
0.6075 Remote Similarity NPD5175 Approved
0.6075 Remote Similarity NPD5174 Approved
0.6075 Remote Similarity NPD4754 Approved
0.6071 Remote Similarity NPD8297 Approved
0.6071 Remote Similarity NPD6882 Approved
0.6061 Remote Similarity NPD4518 Approved
0.6047 Remote Similarity NPD4224 Phase 2
0.6042 Remote Similarity NPD5362 Discontinued
0.604 Remote Similarity NPD7637 Suspended
0.604 Remote Similarity NPD7983 Approved
0.6036 Remote Similarity NPD4634 Approved
0.6036 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6023 Remote Similarity NPD4137 Phase 3
0.6019 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6018 Remote Similarity NPD4632 Approved
0.6 Remote Similarity NPD7638 Approved
0.6 Remote Similarity NPD5369 Approved
0.5983 Remote Similarity NPD6319 Approved
0.5981 Remote Similarity NPD5091 Approved
0.5981 Remote Similarity NPD7632 Discontinued
0.598 Remote Similarity NPD4202 Approved
0.5963 Remote Similarity NPD4767 Approved
0.5963 Remote Similarity NPD4768 Approved
0.5962 Remote Similarity NPD7839 Suspended
0.5957 Remote Similarity NPD4195 Approved
0.5955 Remote Similarity NPD4691 Approved
0.5955 Remote Similarity NPD4747 Approved
0.5952 Remote Similarity NPD4191 Approved
0.5952 Remote Similarity NPD4193 Approved
0.5952 Remote Similarity NPD4192 Approved
0.5952 Remote Similarity NPD4194 Approved
0.5946 Remote Similarity NPD4061 Clinical (unspecified phase)
0.5941 Remote Similarity NPD6698 Approved
0.5941 Remote Similarity NPD46 Approved
0.5922 Remote Similarity NPD5122 Clinical (unspecified phase)
0.5922 Remote Similarity NPD6001 Approved
0.5913 Remote Similarity NPD6868 Approved
0.5913 Remote Similarity NPD6274 Approved
0.5893 Remote Similarity NPD6371 Approved
0.5889 Remote Similarity NPD5276 Approved
0.5889 Remote Similarity NPD6081 Approved
0.5882 Remote Similarity NPD4810 Clinical (unspecified phase)
0.5876 Remote Similarity NPD6110 Phase 1
0.5876 Remote Similarity NPD4788 Approved
0.587 Remote Similarity NPD8039 Approved
0.5862 Remote Similarity NPD6108 Clinical (unspecified phase)
0.5862 Remote Similarity NPD8295 Clinical (unspecified phase)
0.5862 Remote Similarity NPD6317 Approved
0.5862 Remote Similarity NPD6009 Approved
0.5856 Remote Similarity NPD4729 Approved
0.5856 Remote Similarity NPD5128 Approved
0.5856 Remote Similarity NPD5168 Approved
0.5856 Remote Similarity NPD4730 Approved
0.5856 Remote Similarity NPD6686 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL518560
ZINC  

Physicochemical Properties

Molecular Weight:  348.16
ALogP:  0.3506
MLogP:  2.89
XLogP:  2.778
# Rotatable Bonds:  10
Polar Surface Area:  108.74
# H-Bond Aceptor:  6
# H-Bond Donor:  2
# Rings:  2
# Heavy Atoms:  25

Download Data

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