Natural Product: NPC23778

Natural Product ID:  NPC23778
Common Name:   Taiwaniaquinone G
IUPAC Name:   (4bS,8aS)-3-methoxy-4b,8,8-trimethyl-2-propan-2-yl-6,7,8a,9-tetrahydro-5H-fluorene-1,4-dione
Synonyms:   Taiwaniaquinone G
Molecular Formula:   C20H28O3
Standard InCHIKey:  AVTKDJHUFWOONG-RBZFPXEDSA-N
Standard InCHI:  InChI=1S/C20H28O3/c1-11(2)14-16(21)12-10-13-19(3,4)8-7-9-20(13,5)15(12)17(22)18(14)23-6/h11,13H,7-10H2,1-6H3/t13-,20-/m0/s1
Canonical SMILES:  COC1=C(C(C)C)C(=O)C2=C(C1=O)[C@@]1(C)CCCC([C@@H]1C2)(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
NPO24241 Taiwania cryptomerioides Species Cupressaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT91 Cell Line KB Homo sapiens EC50 > 10000 nM 20102168

  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 NPC23778 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
0.9351 High Similarity NPC8091
0.8816 High Similarity NPC283087
0.8608 High Similarity NPC474085
0.8228 Intermediate Similarity NPC469996
0.8205 Intermediate Similarity NPC92080
0.8193 Intermediate Similarity NPC8518
0.8193 Intermediate Similarity NPC241512
0.8193 Intermediate Similarity NPC132228
0.8193 Intermediate Similarity NPC6185
0.8193 Intermediate Similarity NPC133652
0.8193 Intermediate Similarity NPC263997
0.8 Intermediate Similarity NPC30321
0.7857 Intermediate Similarity NPC237712
0.7831 Intermediate Similarity NPC321289
0.7831 Intermediate Similarity NPC327969
0.7805 Intermediate Similarity NPC108955
0.7778 Intermediate Similarity NPC476808
0.7765 Intermediate Similarity NPC474680
0.7738 Intermediate Similarity NPC271784
0.7727 Intermediate Similarity NPC478257
0.7727 Intermediate Similarity NPC223093
0.7727 Intermediate Similarity NPC478258
0.7727 Intermediate Similarity NPC475823
0.7727 Intermediate Similarity NPC474209
0.7711 Intermediate Similarity NPC55869
0.7711 Intermediate Similarity NPC225515
0.7692 Intermediate Similarity NPC474539
0.7683 Intermediate Similarity NPC192329
0.7683 Intermediate Similarity NPC476177
0.7683 Intermediate Similarity NPC475681
0.7654 Intermediate Similarity NPC472300
0.7647 Intermediate Similarity NPC320801
0.7647 Intermediate Similarity NPC144258
0.7625 Intermediate Similarity NPC175079
0.7619 Intermediate Similarity NPC103486
0.7619 Intermediate Similarity NPC100297
0.7614 Intermediate Similarity NPC305039
0.759 Intermediate Similarity NPC18955
0.7561 Intermediate Similarity NPC478246
0.7561 Intermediate Similarity NPC478247
0.7558 Intermediate Similarity NPC478245
0.7558 Intermediate Similarity NPC469948
0.7558 Intermediate Similarity NPC90287
0.7531 Intermediate Similarity NPC26504
0.7529 Intermediate Similarity NPC105803
0.7529 Intermediate Similarity NPC469561
0.75 Intermediate Similarity NPC307298
0.75 Intermediate Similarity NPC477372
0.75 Intermediate Similarity NPC53454
0.75 Intermediate Similarity NPC147438
0.75 Intermediate Similarity NPC99308
0.75 Intermediate Similarity NPC149237
0.7471 Intermediate Similarity NPC51014
0.7471 Intermediate Similarity NPC31564
0.7471 Intermediate Similarity NPC145879
0.7471 Intermediate Similarity NPC327115
0.7471 Intermediate Similarity NPC474732
0.7471 Intermediate Similarity NPC474778
0.7471 Intermediate Similarity NPC474733
0.7471 Intermediate Similarity NPC470345
0.7468 Intermediate Similarity NPC144627
0.7444 Intermediate Similarity NPC190442
0.7444 Intermediate Similarity NPC248913
0.7442 Intermediate Similarity NPC469569
0.7442 Intermediate Similarity NPC473246
0.7442 Intermediate Similarity NPC214043
0.7442 Intermediate Similarity NPC85774
0.7419 Intermediate Similarity NPC216904
0.7416 Intermediate Similarity NPC310010
0.7416 Intermediate Similarity NPC280833
0.7416 Intermediate Similarity NPC326627
0.7416 Intermediate Similarity NPC119416
0.7412 Intermediate Similarity NPC193347
0.7412 Intermediate Similarity NPC240302
0.7407 Intermediate Similarity NPC475771
0.7407 Intermediate Similarity NPC469669
0.7407 Intermediate Similarity NPC469678
0.7386 Intermediate Similarity NPC58063
0.7386 Intermediate Similarity NPC220930
0.7386 Intermediate Similarity NPC272039
0.7386 Intermediate Similarity NPC475740
0.7386 Intermediate Similarity NPC38885
0.7381 Intermediate Similarity NPC474956
0.7381 Intermediate Similarity NPC2482
0.7363 Intermediate Similarity NPC229976
0.7356 Intermediate Similarity NPC132629
0.7356 Intermediate Similarity NPC197823
0.7356 Intermediate Similarity NPC15838
0.7356 Intermediate Similarity NPC323765
0.7342 Intermediate Similarity NPC307176
0.734 Intermediate Similarity NPC112753
0.734 Intermediate Similarity NPC275439
0.7333 Intermediate Similarity NPC129913
0.7333 Intermediate Similarity NPC113393
0.7333 Intermediate Similarity NPC472306
0.7326 Intermediate Similarity NPC470047
0.7326 Intermediate Similarity NPC470046
0.7326 Intermediate Similarity NPC53733
0.7326 Intermediate Similarity NPC168188
0.7326 Intermediate Similarity NPC470015
0.7317 Intermediate Similarity NPC263582
0.7317 Intermediate Similarity NPC470525
0.7303 Intermediate Similarity NPC471722
0.7303 Intermediate Similarity NPC475001
0.7303 Intermediate Similarity NPC474677
0.7303 Intermediate Similarity NPC185059
0.7294 Intermediate Similarity NPC282293
0.7294 Intermediate Similarity NPC478262
0.7294 Intermediate Similarity NPC121984
0.7294 Intermediate Similarity NPC475833
0.7294 Intermediate Similarity NPC475665
0.7294 Intermediate Similarity NPC136150
0.7284 Intermediate Similarity NPC470299
0.7283 Intermediate Similarity NPC245972
0.7283 Intermediate Similarity NPC212812
0.7283 Intermediate Similarity NPC196485
0.7273 Intermediate Similarity NPC222613
0.7273 Intermediate Similarity NPC118648
0.7273 Intermediate Similarity NPC475022
0.7273 Intermediate Similarity NPC470346
0.7273 Intermediate Similarity NPC20688
0.7273 Intermediate Similarity NPC195640
0.7273 Intermediate Similarity NPC72133
0.7273 Intermediate Similarity NPC229717
0.7273 Intermediate Similarity NPC94666
0.7262 Intermediate Similarity NPC477371
0.7262 Intermediate Similarity NPC472490
0.7262 Intermediate Similarity NPC27817
0.7253 Intermediate Similarity NPC174167
0.7253 Intermediate Similarity NPC168027
0.7253 Intermediate Similarity NPC470036
0.7253 Intermediate Similarity NPC185936
0.7253 Intermediate Similarity NPC131872
0.7253 Intermediate Similarity NPC26865
0.725 Intermediate Similarity NPC223187
0.7241 Intermediate Similarity NPC58841
0.7241 Intermediate Similarity NPC321187
0.7241 Intermediate Similarity NPC161423
0.7241 Intermediate Similarity NPC329043
0.7241 Intermediate Similarity NPC227064
0.7241 Intermediate Similarity NPC221758
0.7241 Intermediate Similarity NPC475100
0.7241 Intermediate Similarity NPC109512
0.7241 Intermediate Similarity NPC59453
0.7237 Intermediate Similarity NPC34622
0.7237 Intermediate Similarity NPC474400
0.7229 Intermediate Similarity NPC165711
0.7229 Intermediate Similarity NPC316500
0.7222 Intermediate Similarity NPC268406
0.7222 Intermediate Similarity NPC31985
0.7222 Intermediate Similarity NPC474245
0.7222 Intermediate Similarity NPC26959
0.7222 Intermediate Similarity NPC1015
0.7222 Intermediate Similarity NPC186688
0.7222 Intermediate Similarity NPC76879
0.7215 Intermediate Similarity NPC139397
0.7209 Intermediate Similarity NPC142683
0.7209 Intermediate Similarity NPC151519
0.7209 Intermediate Similarity NPC260956
0.7209 Intermediate Similarity NPC469325
0.7209 Intermediate Similarity NPC320514
0.7209 Intermediate Similarity NPC328351
0.7204 Intermediate Similarity NPC280725
0.7204 Intermediate Similarity NPC295347
0.7191 Intermediate Similarity NPC136548
0.7191 Intermediate Similarity NPC93778
0.7191 Intermediate Similarity NPC99909
0.7188 Intermediate Similarity NPC124211
0.7176 Intermediate Similarity NPC279667
0.7176 Intermediate Similarity NPC472478
0.7174 Intermediate Similarity NPC134826
0.7174 Intermediate Similarity NPC233118
0.7174 Intermediate Similarity NPC79117
0.7174 Intermediate Similarity NPC263780
0.7174 Intermediate Similarity NPC271652
0.7174 Intermediate Similarity NPC12722
0.716 Intermediate Similarity NPC474228
0.716 Intermediate Similarity NPC303613
0.7159 Intermediate Similarity NPC189311
0.7159 Intermediate Similarity NPC123319
0.7159 Intermediate Similarity NPC94531
0.7159 Intermediate Similarity NPC470048
0.7159 Intermediate Similarity NPC36350
0.7159 Intermediate Similarity NPC473038
0.7159 Intermediate Similarity NPC311702
0.7159 Intermediate Similarity NPC179006
0.7159 Intermediate Similarity NPC470574
0.7159 Intermediate Similarity NPC29447
0.7159 Intermediate Similarity NPC300985
0.7159 Intermediate Similarity NPC474853
0.7159 Intermediate Similarity NPC470223
0.7143 Intermediate Similarity NPC62336
0.7143 Intermediate Similarity NPC48010
0.7143 Intermediate Similarity NPC275494
0.7143 Intermediate Similarity NPC35574
0.7143 Intermediate Similarity NPC189485
0.7143 Intermediate Similarity NPC85173
0.7143 Intermediate Similarity NPC471409
0.7143 Intermediate Similarity NPC98897
0.7128 Intermediate Similarity NPC328162

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC23778 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
0.8228 Intermediate Similarity NPD3617 Approved
0.7907 Intermediate Similarity NPD5737 Approved
0.7907 Intermediate Similarity NPD6672 Approved
0.7805 Intermediate Similarity NPD4695 Discontinued
0.7674 Intermediate Similarity NPD5279 Phase 3
0.7647 Intermediate Similarity NPD4197 Approved
0.7614 Intermediate Similarity NPD6080 Approved
0.7614 Intermediate Similarity NPD6904 Approved
0.7614 Intermediate Similarity NPD6673 Approved
0.7558 Intermediate Similarity NPD5329 Approved
0.7528 Intermediate Similarity NPD5692 Phase 3
0.7471 Intermediate Similarity NPD4694 Approved
0.7471 Intermediate Similarity NPD5280 Approved
0.7471 Intermediate Similarity NPD5690 Phase 2
0.7471 Intermediate Similarity NPD6098 Approved
0.7444 Intermediate Similarity NPD5693 Phase 1
0.7444 Intermediate Similarity NPD6050 Approved
0.7444 Intermediate Similarity NPD5694 Approved
0.7416 Intermediate Similarity NPD4753 Phase 2
0.7412 Intermediate Similarity NPD4223 Phase 3
0.7412 Intermediate Similarity NPD4221 Approved
0.7391 Intermediate Similarity NPD5695 Phase 3
0.7342 Intermediate Similarity NPD4747 Approved
0.7273 Intermediate Similarity NPD7521 Approved
0.7273 Intermediate Similarity NPD7146 Approved
0.7273 Intermediate Similarity NPD5330 Approved
0.7273 Intermediate Similarity NPD7334 Approved
0.7273 Intermediate Similarity NPD6684 Approved
0.7273 Intermediate Similarity NPD6409 Approved
0.725 Intermediate Similarity NPD5276 Approved
0.7241 Intermediate Similarity NPD3665 Phase 1
0.7241 Intermediate Similarity NPD3666 Approved
0.7241 Intermediate Similarity NPD4786 Approved
0.7241 Intermediate Similarity NPD3133 Approved
0.7234 Intermediate Similarity NPD6083 Phase 2
0.7234 Intermediate Similarity NPD6084 Phase 2
0.7215 Intermediate Similarity NPD4137 Phase 3
0.7209 Intermediate Similarity NPD3667 Approved
0.7204 Intermediate Similarity NPD5654 Approved
0.7158 Intermediate Similarity NPD5696 Approved
0.7125 Intermediate Similarity NPD4691 Approved
0.7111 Intermediate Similarity NPD6903 Approved
0.7111 Intermediate Similarity NPD5208 Approved
0.7111 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7093 Intermediate Similarity NPD4139 Approved
0.7093 Intermediate Similarity NPD4692 Approved
0.7079 Intermediate Similarity NPD4138 Approved
0.7079 Intermediate Similarity NPD4690 Approved
0.7079 Intermediate Similarity NPD5205 Approved
0.7079 Intermediate Similarity NPD3618 Phase 1
0.7079 Intermediate Similarity NPD4693 Phase 3
0.7079 Intermediate Similarity NPD4688 Approved
0.7079 Intermediate Similarity NPD4689 Approved
0.7073 Intermediate Similarity NPD5733 Approved
0.7073 Intermediate Similarity NPD4687 Approved
0.7053 Intermediate Similarity NPD5959 Approved
0.7051 Intermediate Similarity NPD3704 Approved
0.7051 Intermediate Similarity NPD6108 Clinical (unspecified phase)
0.7045 Intermediate Similarity NPD3668 Phase 3
0.7033 Intermediate Similarity NPD5328 Approved
0.7033 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.7021 Intermediate Similarity NPD5210 Approved
0.7021 Intermediate Similarity NPD4629 Approved
0.6989 Remote Similarity NPD5133 Approved
0.6957 Remote Similarity NPD5207 Approved
0.6947 Remote Similarity NPD4697 Phase 3
0.6947 Remote Similarity NPD5221 Approved
0.6947 Remote Similarity NPD5222 Approved
0.6947 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6889 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6889 Remote Similarity NPD4519 Discontinued
0.6889 Remote Similarity NPD4623 Approved
0.6882 Remote Similarity NPD6079 Approved
0.6875 Remote Similarity NPD4755 Approved
0.6875 Remote Similarity NPD5173 Approved
0.6867 Remote Similarity NPD4058 Approved
0.6842 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6818 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6809 Remote Similarity NPD4202 Approved
0.6809 Remote Similarity NPD6399 Phase 3
0.6774 Remote Similarity NPD4096 Approved
0.6742 Remote Similarity NPD4788 Approved
0.6739 Remote Similarity NPD4518 Approved
0.6737 Remote Similarity NPD5282 Discontinued
0.6737 Remote Similarity NPD6001 Approved
0.6735 Remote Similarity NPD5286 Approved
0.6735 Remote Similarity NPD4700 Approved
0.6735 Remote Similarity NPD4696 Approved
0.6735 Remote Similarity NPD5285 Approved
0.6733 Remote Similarity NPD6402 Approved
0.6733 Remote Similarity NPD7128 Approved
0.6733 Remote Similarity NPD5739 Approved
0.6733 Remote Similarity NPD6675 Approved
0.6709 Remote Similarity NPD7341 Phase 2
0.6702 Remote Similarity NPD5284 Approved
0.6702 Remote Similarity NPD5281 Approved
0.6667 Remote Similarity NPD5697 Approved
0.6667 Remote Similarity NPD5223 Approved
0.6667 Remote Similarity NPD5701 Approved
0.6667 Remote Similarity NPD4195 Approved
0.6667 Remote Similarity NPD3621 Clinical (unspecified phase)
0.663 Remote Similarity NPD3573 Approved
0.6602 Remote Similarity NPD6011 Approved
0.6602 Remote Similarity NPD7320 Approved
0.6602 Remote Similarity NPD6899 Approved
0.6602 Remote Similarity NPD6881 Approved
0.66 Remote Similarity NPD5225 Approved
0.66 Remote Similarity NPD5226 Approved
0.66 Remote Similarity NPD5211 Phase 2
0.66 Remote Similarity NPD5224 Approved
0.66 Remote Similarity NPD4633 Approved
0.6593 Remote Similarity NPD1694 Approved
0.6538 Remote Similarity NPD6014 Approved
0.6538 Remote Similarity NPD6012 Approved
0.6538 Remote Similarity NPD6013 Approved
0.6538 Remote Similarity NPD6372 Approved
0.6538 Remote Similarity NPD6373 Approved
0.6535 Remote Similarity NPD4754 Approved
0.6535 Remote Similarity NPD5174 Approved
0.6535 Remote Similarity NPD5175 Approved
0.6506 Remote Similarity NPD4789 Approved
0.6505 Remote Similarity NPD6614 Approved
0.65 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6476 Remote Similarity NPD7290 Approved
0.6476 Remote Similarity NPD7102 Approved
0.6476 Remote Similarity NPD6883 Approved
0.6471 Remote Similarity NPD5141 Approved
0.6456 Remote Similarity NPD2664 Clinical (unspecified phase)
0.6444 Remote Similarity NPD4800 Clinical (unspecified phase)
0.6436 Remote Similarity NPD5091 Approved
0.6415 Remote Similarity NPD8130 Phase 1
0.6415 Remote Similarity NPD6617 Approved
0.6415 Remote Similarity NPD6847 Approved
0.6415 Remote Similarity NPD6869 Approved
0.6415 Remote Similarity NPD6649 Approved
0.6415 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6415 Remote Similarity NPD6650 Approved
0.6413 Remote Similarity NPD1696 Phase 3
0.6408 Remote Similarity NPD4767 Approved
0.6408 Remote Similarity NPD4768 Approved
0.6408 Remote Similarity NPD6008 Approved
0.6392 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6392 Remote Similarity NPD7900 Approved
0.6392 Remote Similarity NPD7748 Approved
0.6355 Remote Similarity NPD8297 Approved
0.6355 Remote Similarity NPD6882 Approved
0.6354 Remote Similarity NPD7515 Phase 2
0.6286 Remote Similarity NPD5168 Approved
0.6286 Remote Similarity NPD4730 Approved
0.6286 Remote Similarity NPD4729 Approved
0.6286 Remote Similarity NPD5128 Approved
0.6263 Remote Similarity NPD7732 Phase 3
0.625 Remote Similarity NPD4756 Discovery
0.6222 Remote Similarity NPD8259 Clinical (unspecified phase)
0.622 Remote Similarity NPD7331 Phase 2
0.6214 Remote Similarity NPD6052 Approved
0.6207 Remote Similarity NPD6942 Approved
0.6207 Remote Similarity NPD7339 Approved
0.62 Remote Similarity NPD7902 Approved
0.6196 Remote Similarity NPD3527 Clinical (unspecified phase)
0.6182 Remote Similarity NPD6868 Approved
0.6182 Remote Similarity NPD6274 Approved
0.6168 Remote Similarity NPD5250 Approved
0.6168 Remote Similarity NPD5249 Phase 3
0.6168 Remote Similarity NPD5169 Approved
0.6168 Remote Similarity NPD4634 Approved
0.6168 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6168 Remote Similarity NPD5248 Approved
0.6168 Remote Similarity NPD5251 Approved
0.6168 Remote Similarity NPD5135 Approved
0.6168 Remote Similarity NPD5247 Approved
0.6154 Remote Similarity NPD287 Approved
0.6147 Remote Similarity NPD4632 Approved
0.6136 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6126 Remote Similarity NPD6317 Approved
0.6126 Remote Similarity NPD6009 Approved
0.6111 Remote Similarity NPD5216 Approved
0.6111 Remote Similarity NPD5217 Approved
0.6111 Remote Similarity NPD5215 Approved
0.6111 Remote Similarity NPD5127 Approved
0.6092 Remote Similarity NPD6924 Approved
0.6092 Remote Similarity NPD4785 Approved
0.6092 Remote Similarity NPD6926 Approved
0.6092 Remote Similarity NPD4784 Approved
0.6071 Remote Similarity NPD6313 Approved
0.6071 Remote Similarity NPD5360 Phase 3
0.6071 Remote Similarity NPD6335 Approved
0.6071 Remote Similarity NPD6314 Approved
0.6071 Remote Similarity NPD5361 Clinical (unspecified phase)
0.6064 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6047 Remote Similarity NPD4243 Approved
0.6047 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6047 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6047 Remote Similarity NPD5777 Approved
0.6044 Remote Similarity NPD4748 Discontinued
0.6038 Remote Similarity NPD6412 Phase 2
0.6026 Remote Similarity NPD8779 Phase 3
0.6024 Remote Similarity NPD4224 Phase 2
0.6018 Remote Similarity NPD7100 Approved
0.6018 Remote Similarity NPD7101 Approved

Structure

External Identifiers

PubChem CID   25199270
ChEMBL   CHEMBL1088628
ZINC  

Physicochemical Properties

Molecular Weight:  316.20
ALogP:  1.109
MLogP:  3.33
XLogP:  4.878
# Rotatable Bonds:  8
Polar Surface Area:  43.37
# H-Bond Aceptor:  3
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  23

Download Data

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