Natural Product: NPC175079

Natural Product ID:  NPC175079
Common Name:   n.a.
IUPAC Name:  
Synonyms:   Coleon U-Quinone
Molecular Formula:   C20H24O5
Standard InCHIKey:  JDAVZMSBGQYYQP-HXUWFJFHSA-N
Standard InCHI:  InChI=1S/C20H24O5/c1-9(2)10-13(21)11-12(16(24)14(10)22)20(5)8-6-7-19(3,4)18(20)17(25)15(11)23/h9,22,25H,6-8H2,1-5H3/t20-/m1/s1
Canonical SMILES:  CC(C1=C(O)C(=O)C2=C(C1=O)C(=O)C(=C1[C@]2(C)CCCC1(C)C)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
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 = 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 NPC175079 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
0.9315 High Similarity NPC30321
0.9041 High Similarity NPC92080
0.8734 High Similarity NPC90287
0.8701 High Similarity NPC55869
0.8571 High Similarity NPC108955
0.8533 High Similarity NPC110725
0.8462 Intermediate Similarity NPC225515
0.8442 Intermediate Similarity NPC192329
0.8354 Intermediate Similarity NPC103486
0.8312 Intermediate Similarity NPC476808
0.8272 Intermediate Similarity NPC32037
0.8272 Intermediate Similarity NPC263997
0.8272 Intermediate Similarity NPC132228
0.8272 Intermediate Similarity NPC8518
0.825 Intermediate Similarity NPC105803
0.825 Intermediate Similarity NPC258985
0.8205 Intermediate Similarity NPC27817
0.8205 Intermediate Similarity NPC475681
0.8101 Intermediate Similarity NPC18955
0.8095 Intermediate Similarity NPC474918
0.8077 Intermediate Similarity NPC189485
0.8072 Intermediate Similarity NPC272039
0.8072 Intermediate Similarity NPC220930
0.8052 Intermediate Similarity NPC1254
0.8049 Intermediate Similarity NPC241512
0.8049 Intermediate Similarity NPC474680
0.8049 Intermediate Similarity NPC6185
0.8025 Intermediate Similarity NPC53733
0.7976 Intermediate Similarity NPC307298
0.7976 Intermediate Similarity NPC53454
0.7882 Intermediate Similarity NPC65615
0.7882 Intermediate Similarity NPC68148
0.7882 Intermediate Similarity NPC112454
0.7821 Intermediate Similarity NPC180886
0.7805 Intermediate Similarity NPC470015
0.7805 Intermediate Similarity NPC168188
0.7792 Intermediate Similarity NPC147438
0.7791 Intermediate Similarity NPC113393
0.7778 Intermediate Similarity NPC116797
0.7778 Intermediate Similarity NPC189237
0.7778 Intermediate Similarity NPC475863
0.7778 Intermediate Similarity NPC472684
0.7778 Intermediate Similarity NPC44963
0.7778 Intermediate Similarity NPC99308
0.7778 Intermediate Similarity NPC474085
0.7778 Intermediate Similarity NPC470034
0.7765 Intermediate Similarity NPC185059
0.7765 Intermediate Similarity NPC475001
0.7763 Intermediate Similarity NPC144627
0.7753 Intermediate Similarity NPC272411
0.7738 Intermediate Similarity NPC94666
0.7722 Intermediate Similarity NPC283087
0.7722 Intermediate Similarity NPC165711
0.7711 Intermediate Similarity NPC209882
0.7701 Intermediate Similarity NPC470036
0.7701 Intermediate Similarity NPC174167
0.7654 Intermediate Similarity NPC287063
0.7654 Intermediate Similarity NPC2482
0.7654 Intermediate Similarity NPC26139
0.764 Intermediate Similarity NPC777
0.764 Intermediate Similarity NPC147232
0.7639 Intermediate Similarity NPC143168
0.7639 Intermediate Similarity NPC53109
0.7632 Intermediate Similarity NPC173321
0.7625 Intermediate Similarity NPC23778
0.7625 Intermediate Similarity NPC74410
0.7619 Intermediate Similarity NPC33663
0.7619 Intermediate Similarity NPC311702
0.7619 Intermediate Similarity NPC94531
0.7619 Intermediate Similarity NPC123319
0.7614 Intermediate Similarity NPC211230
0.7614 Intermediate Similarity NPC271652
0.7614 Intermediate Similarity NPC263780
0.7595 Intermediate Similarity NPC26504
0.7595 Intermediate Similarity NPC470525
0.7586 Intermediate Similarity NPC475823
0.7586 Intermediate Similarity NPC474209
0.7561 Intermediate Similarity NPC278459
0.7561 Intermediate Similarity NPC121984
0.7558 Intermediate Similarity NPC58271
0.7558 Intermediate Similarity NPC230387
0.7534 Intermediate Similarity NPC7029
0.7532 Intermediate Similarity NPC84790
0.7531 Intermediate Similarity NPC472490
0.7529 Intermediate Similarity NPC229717
0.7528 Intermediate Similarity NPC23170
0.7528 Intermediate Similarity NPC474882
0.7528 Intermediate Similarity NPC474328
0.75 Intermediate Similarity NPC248913
0.75 Intermediate Similarity NPC237712
0.75 Intermediate Similarity NPC99380
0.75 Intermediate Similarity NPC144258
0.75 Intermediate Similarity NPC476811
0.75 Intermediate Similarity NPC474060
0.747 Intermediate Similarity NPC212083
0.7442 Intermediate Similarity NPC470523
0.7439 Intermediate Similarity NPC279667
0.7439 Intermediate Similarity NPC476809
0.7439 Intermediate Similarity NPC469637
0.7436 Intermediate Similarity NPC247586
0.7432 Intermediate Similarity NPC61473
0.7412 Intermediate Similarity NPC197823
0.7412 Intermediate Similarity NPC473038
0.7412 Intermediate Similarity NPC133652
0.7412 Intermediate Similarity NPC469993
0.7412 Intermediate Similarity NPC255174
0.7407 Intermediate Similarity NPC275494
0.7407 Intermediate Similarity NPC471409
0.7397 Intermediate Similarity NPC473211
0.7397 Intermediate Similarity NPC477830
0.7397 Intermediate Similarity NPC473210
0.7386 Intermediate Similarity NPC129913
0.7386 Intermediate Similarity NPC252737
0.7381 Intermediate Similarity NPC472492
0.7381 Intermediate Similarity NPC8091
0.7381 Intermediate Similarity NPC49019
0.7375 Intermediate Similarity NPC263582
0.7356 Intermediate Similarity NPC143025
0.7356 Intermediate Similarity NPC470524
0.7349 Intermediate Similarity NPC226068
0.7349 Intermediate Similarity NPC471898
0.7349 Intermediate Similarity NPC275766
0.7342 Intermediate Similarity NPC470299
0.7333 Intermediate Similarity NPC160413
0.7333 Intermediate Similarity NPC212812
0.7326 Intermediate Similarity NPC472974
0.7326 Intermediate Similarity NPC327115
0.7326 Intermediate Similarity NPC203795
0.7326 Intermediate Similarity NPC222613
0.7326 Intermediate Similarity NPC475022
0.7326 Intermediate Similarity NPC472488
0.7326 Intermediate Similarity NPC118648
0.7317 Intermediate Similarity NPC474113
0.7308 Intermediate Similarity NPC474539
0.7294 Intermediate Similarity NPC473246
0.7294 Intermediate Similarity NPC96095
0.7284 Intermediate Similarity NPC97377
0.7284 Intermediate Similarity NPC257666
0.7284 Intermediate Similarity NPC266124
0.7284 Intermediate Similarity NPC266193
0.7273 Intermediate Similarity NPC280833
0.7273 Intermediate Similarity NPC326627
0.7273 Intermediate Similarity NPC477973
0.7273 Intermediate Similarity NPC310010
0.7262 Intermediate Similarity NPC321289
0.7262 Intermediate Similarity NPC477269
0.7262 Intermediate Similarity NPC260956
0.7262 Intermediate Similarity NPC469325
0.7262 Intermediate Similarity NPC129080
0.7262 Intermediate Similarity NPC327969
0.7262 Intermediate Similarity NPC477270
0.7262 Intermediate Similarity NPC302661
0.7262 Intermediate Similarity NPC320514
0.7262 Intermediate Similarity NPC477271
0.7262 Intermediate Similarity NPC48362
0.7262 Intermediate Similarity NPC193347
0.7262 Intermediate Similarity NPC238991
0.726 Intermediate Similarity NPC115752
0.726 Intermediate Similarity NPC473212
0.726 Intermediate Similarity NPC138056
0.726 Intermediate Similarity NPC254449
0.726 Intermediate Similarity NPC15130
0.7241 Intermediate Similarity NPC99909
0.7241 Intermediate Similarity NPC136548
0.7237 Intermediate Similarity NPC243272
0.7229 Intermediate Similarity NPC474956
0.7229 Intermediate Similarity NPC472478
0.7222 Intermediate Similarity NPC25750
0.7222 Intermediate Similarity NPC233118
0.7215 Intermediate Similarity NPC472813
0.7209 Intermediate Similarity NPC470177
0.7209 Intermediate Similarity NPC33881
0.7209 Intermediate Similarity NPC474537
0.7209 Intermediate Similarity NPC79573
0.7209 Intermediate Similarity NPC132629
0.7209 Intermediate Similarity NPC11711
0.7209 Intermediate Similarity NPC15838
0.7209 Intermediate Similarity NPC469948
0.7195 Intermediate Similarity NPC478247
0.7195 Intermediate Similarity NPC469996
0.7195 Intermediate Similarity NPC178852
0.7195 Intermediate Similarity NPC475994
0.7195 Intermediate Similarity NPC62336
0.7195 Intermediate Similarity NPC478246
0.7176 Intermediate Similarity NPC469561
0.7176 Intermediate Similarity NPC309309
0.7176 Intermediate Similarity NPC291999
0.7176 Intermediate Similarity NPC102197
0.7174 Intermediate Similarity NPC96859
0.7174 Intermediate Similarity NPC328162
0.7174 Intermediate Similarity NPC305483
0.716 Intermediate Similarity NPC239758
0.716 Intermediate Similarity NPC69143
0.716 Intermediate Similarity NPC151622
0.716 Intermediate Similarity NPC7629
0.716 Intermediate Similarity NPC76966
0.716 Intermediate Similarity NPC186554
0.716 Intermediate Similarity NPC309399
0.7159 Intermediate Similarity NPC48107
0.7159 Intermediate Similarity NPC471722

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC175079 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
0.8571 High Similarity NPD4695 Discontinued
0.8312 Intermediate Similarity NPD3617 Approved
0.7882 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.7639 Intermediate Similarity NPD2664 Clinical (unspecified phase)
0.7529 Intermediate Similarity NPD4694 Approved
0.7529 Intermediate Similarity NPD5280 Approved
0.7529 Intermediate Similarity NPD5690 Phase 2
0.7529 Intermediate Similarity NPD5279 Phase 3
0.75 Intermediate Similarity NPD4197 Approved
0.7432 Intermediate Similarity NPD7341 Phase 2
0.7412 Intermediate Similarity NPD5329 Approved
0.7333 Intermediate Similarity NPD3704 Approved
0.7326 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD4753 Phase 2
0.7262 Intermediate Similarity NPD4223 Phase 3
0.7262 Intermediate Similarity NPD4221 Approved
0.7143 Intermediate Similarity NPD4692 Approved
0.7143 Intermediate Similarity NPD4139 Approved
0.7126 Intermediate Similarity NPD3618 Phase 1
0.7111 Intermediate Similarity NPD5284 Approved
0.7111 Intermediate Similarity NPD5281 Approved
0.7105 Intermediate Similarity NPD7331 Phase 2
0.7093 Intermediate Similarity NPD3133 Approved
0.7093 Intermediate Similarity NPD3666 Approved
0.7093 Intermediate Similarity NPD3665 Phase 1
0.7065 Intermediate Similarity NPD5210 Approved
0.7065 Intermediate Similarity NPD4629 Approved
0.7065 Intermediate Similarity NPD5695 Phase 3
0.7059 Intermediate Similarity NPD3667 Approved
0.7033 Intermediate Similarity NPD5133 Approved
0.7024 Intermediate Similarity NPD8259 Clinical (unspecified phase)
0.6989 Remote Similarity NPD4697 Phase 3
0.6932 Remote Similarity NPD4138 Approved
0.6932 Remote Similarity NPD4693 Phase 3
0.6932 Remote Similarity NPD4519 Discontinued
0.6932 Remote Similarity NPD4690 Approved
0.6932 Remote Similarity NPD4623 Approved
0.6932 Remote Similarity NPD5205 Approved
0.6932 Remote Similarity NPD4689 Approved
0.6932 Remote Similarity NPD4688 Approved
0.6897 Remote Similarity NPD4786 Approved
0.6875 Remote Similarity NPD5276 Approved
0.686 Remote Similarity NPD4800 Clinical (unspecified phase)
0.6842 Remote Similarity NPD5696 Approved
0.6835 Remote Similarity NPD4137 Phase 3
0.6813 Remote Similarity NPD5692 Phase 3
0.6813 Remote Similarity NPD4096 Approved
0.6809 Remote Similarity NPD5222 Approved
0.6809 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6809 Remote Similarity NPD5221 Approved
0.6778 Remote Similarity NPD6672 Approved
0.6778 Remote Similarity NPD5737 Approved
0.6778 Remote Similarity NPD4518 Approved
0.675 Remote Similarity NPD4691 Approved
0.675 Remote Similarity NPD4747 Approved
0.6739 Remote Similarity NPD7515 Phase 2
0.6739 Remote Similarity NPD5694 Approved
0.6739 Remote Similarity NPD6050 Approved
0.6737 Remote Similarity NPD5173 Approved
0.6737 Remote Similarity NPD4755 Approved
0.6737 Remote Similarity NPD6084 Phase 2
0.6737 Remote Similarity NPD6083 Phase 2
0.6707 Remote Similarity NPD4687 Approved
0.6707 Remote Similarity NPD5733 Approved
0.6705 Remote Similarity NPD3668 Phase 3
0.6703 Remote Similarity NPD5328 Approved
0.6703 Remote Similarity NPD6673 Approved
0.6703 Remote Similarity NPD6080 Approved
0.6703 Remote Similarity NPD6904 Approved
0.6667 Remote Similarity NPD6399 Phase 3
0.6633 Remote Similarity NPD5091 Approved
0.6632 Remote Similarity NPD7614 Phase 1
0.6598 Remote Similarity NPD5285 Approved
0.6598 Remote Similarity NPD5286 Approved
0.6598 Remote Similarity NPD4696 Approved
0.6598 Remote Similarity NPD4700 Approved
0.6596 Remote Similarity NPD5282 Discontinued
0.6596 Remote Similarity NPD7748 Approved
0.6562 Remote Similarity NPD7902 Approved
0.6559 Remote Similarity NPD6079 Approved
0.6559 Remote Similarity NPD5693 Phase 1
0.6531 Remote Similarity NPD5223 Approved
0.6526 Remote Similarity NPD5654 Approved
0.6512 Remote Similarity NPD4195 Approved
0.6506 Remote Similarity NPD4058 Approved
0.6489 Remote Similarity NPD4202 Approved
0.6471 Remote Similarity NPD4756 Discovery
0.6465 Remote Similarity NPD4633 Approved
0.6465 Remote Similarity NPD5225 Approved
0.6465 Remote Similarity NPD5211 Phase 2
0.6465 Remote Similarity NPD5224 Approved
0.6465 Remote Similarity NPD5226 Approved
0.6456 Remote Similarity NPD6108 Clinical (unspecified phase)
0.6452 Remote Similarity NPD5207 Approved
0.6404 Remote Similarity NPD4788 Approved
0.64 Remote Similarity NPD5174 Approved
0.64 Remote Similarity NPD4754 Approved
0.64 Remote Similarity NPD5175 Approved
0.6392 Remote Similarity NPD5959 Approved
0.6374 Remote Similarity NPD6409 Approved
0.6374 Remote Similarity NPD5330 Approved
0.6374 Remote Similarity NPD7146 Approved
0.6374 Remote Similarity NPD6098 Approved
0.6374 Remote Similarity NPD7521 Approved
0.6374 Remote Similarity NPD6684 Approved
0.6374 Remote Similarity NPD7334 Approved
0.6337 Remote Similarity NPD5141 Approved
0.6304 Remote Similarity NPD3573 Approved
0.6296 Remote Similarity NPD3621 Clinical (unspecified phase)
0.6275 Remote Similarity NPD6402 Approved
0.6275 Remote Similarity NPD5739 Approved
0.6275 Remote Similarity NPD4768 Approved
0.6275 Remote Similarity NPD7128 Approved
0.6275 Remote Similarity NPD4767 Approved
0.6275 Remote Similarity NPD6675 Approved
0.6264 Remote Similarity NPD1696 Phase 3
0.625 Remote Similarity NPD7900 Approved
0.625 Remote Similarity NPD6373 Approved
0.625 Remote Similarity NPD7901 Clinical (unspecified phase)
0.625 Remote Similarity NPD6372 Approved
0.6237 Remote Similarity NPD5208 Approved
0.6237 Remote Similarity NPD6903 Approved
0.6237 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6214 Remote Similarity NPD5697 Approved
0.6214 Remote Similarity NPD5701 Approved
0.6211 Remote Similarity NPD6411 Approved
0.6186 Remote Similarity NPD6356 Clinical (unspecified phase)
0.618 Remote Similarity NPD8028 Phase 2
0.6154 Remote Similarity NPD5168 Approved
0.6154 Remote Similarity NPD4729 Approved
0.6154 Remote Similarity NPD4730 Approved
0.6154 Remote Similarity NPD7320 Approved
0.6154 Remote Similarity NPD6881 Approved
0.6154 Remote Similarity NPD6899 Approved
0.6154 Remote Similarity NPD6011 Approved
0.6154 Remote Similarity NPD5128 Approved
0.6145 Remote Similarity NPD4789 Approved
0.6132 Remote Similarity NPD6650 Approved
0.6132 Remote Similarity NPD6649 Approved
0.6122 Remote Similarity NPD7732 Phase 3
0.6111 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6095 Remote Similarity NPD6012 Approved
0.6095 Remote Similarity NPD6013 Approved
0.6095 Remote Similarity NPD6014 Approved
0.6087 Remote Similarity NPD1694 Approved
0.6082 Remote Similarity NPD6001 Approved
0.6049 Remote Similarity NPD4224 Phase 2
0.6044 Remote Similarity NPD3527 Clinical (unspecified phase)
0.6038 Remote Similarity NPD7102 Approved
0.6038 Remote Similarity NPD5135 Approved
0.6038 Remote Similarity NPD6883 Approved
0.6038 Remote Similarity NPD5247 Approved
0.6038 Remote Similarity NPD7290 Approved
0.6038 Remote Similarity NPD5169 Approved
0.6038 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6038 Remote Similarity NPD4634 Approved
0.6038 Remote Similarity NPD5248 Approved
0.6038 Remote Similarity NPD5251 Approved
0.6038 Remote Similarity NPD5250 Approved
0.6038 Remote Similarity NPD5249 Phase 3
0.6 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6 Remote Similarity NPD4627 Clinical (unspecified phase)
0.6 Remote Similarity NPD6101 Approved
0.5981 Remote Similarity NPD5127 Approved
0.5981 Remote Similarity NPD6401 Clinical (unspecified phase)
0.5981 Remote Similarity NPD8130 Phase 1
0.5981 Remote Similarity NPD5215 Approved
0.5981 Remote Similarity NPD6617 Approved
0.5981 Remote Similarity NPD5216 Approved
0.5981 Remote Similarity NPD6847 Approved
0.5981 Remote Similarity NPD5217 Approved
0.5981 Remote Similarity NPD6869 Approved
0.5977 Remote Similarity NPD3701 Clinical (unspecified phase)
0.5974 Remote Similarity NPD287 Approved
0.5941 Remote Similarity NPD6404 Discontinued
0.5938 Remote Similarity NPD5785 Approved
0.593 Remote Similarity NPD4784 Approved
0.593 Remote Similarity NPD4785 Approved
0.5926 Remote Similarity NPD8297 Approved
0.5926 Remote Similarity NPD3171 Clinical (unspecified phase)
0.5926 Remote Similarity NPD6882 Approved
0.5918 Remote Similarity NPD5122 Clinical (unspecified phase)
0.5914 Remote Similarity NPD5363 Approved
0.5905 Remote Similarity NPD6614 Approved
0.5905 Remote Similarity NPD6412 Phase 2
0.5904 Remote Similarity NPD5360 Phase 3
0.5904 Remote Similarity NPD5361 Clinical (unspecified phase)
0.5889 Remote Similarity NPD4748 Discontinued
0.5882 Remote Similarity NPD4243 Approved
0.5882 Remote Similarity NPD6081 Approved
0.5872 Remote Similarity NPD4632 Approved
0.587 Remote Similarity NPD6110 Phase 1
0.5867 Remote Similarity NPD615 Clinical (unspecified phase)
0.5862 Remote Similarity NPD6942 Approved
0.5862 Remote Similarity NPD7339 Approved
0.5843 Remote Similarity NPD5784 Clinical (unspecified phase)
0.5833 Remote Similarity NPD3700 Clinical (unspecified phase)
0.5833 Remote Similarity NPD3698 Phase 2
0.5833 Remote Similarity NPD3699 Clinical (unspecified phase)
0.5824 Remote Similarity NPD5369 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL462854
ZINC  

Physicochemical Properties

Molecular Weight:  344.16
ALogP:  0.2995
MLogP:  3.11
XLogP:  4.245
# Rotatable Bonds:  8
Polar Surface Area:  91.67
# H-Bond Aceptor:  5
# H-Bond Donor:  2
# Rings:  3
# Heavy Atoms:  25

Download Data

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