Natural Product: NPC263977

Natural Product ID:  NPC263977
Common Name:   Preaustinoid A
IUPAC Name:  
Synonyms:   Preaustinoid A
Molecular Formula:   C26H36O6
Standard InCHIKey:  IRPHRMHQEPXQQF-RFMSQVAGSA-N
Standard InCHI:  InChI=1S/C26H36O6/c1-14-23(5)13-16-22(4)11-10-17(27)21(2,3)15(22)9-12-24(16,6)26(14,20(30)32-8)19(29)25(7,31)18(23)28/h15-16,31H,1,9-13H2,2-8H3/t15-,16+,22-,23-,24+,25+,26+/m1/s1
Canonical SMILES:  COC(=O)[C@@]12C(=O)[C@@](C)(O)C(=O)[C@](C1=C)(C)C[C@@H]1[C@]2(C)CC[C@H]2[C@@]1(C)CCC(=O)C2(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
NPO263 Clibadium microcephalum Species Asteraceae Eukaryota UNPD*
NPO3221 Schkuhria anthemoidea Species Asteraceae Eukaryota UNPD*
NPO17828 Talaromyces ruber Species Trichocomaceae Eukaryota UNPD*
NPO3909 Leucas aspera Species Lamiaceae Eukaryota UNPD*
NPO9306 Globularia nudicaulis Species Plantaginaceae Eukaryota UNPD*
NPO15056 Helianthus pumilus Species Asteraceae Eukaryota UNPD*
NPO15438 Stemona parviflora Species Stemonaceae Eukaryota UNPD*
NPO10881 Gyrophyllum sibogae Species Pennatulidae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT277 Individual Protein Caspase-1 Homo sapiens Inhibition = 97 % 21916432
NPT5270 Individual Protein Interleukin-1 beta Homo sapiens IC50 = 15500 nM 21916432

  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 NPC263977 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
0.9438 High Similarity NPC223169
0.9425 High Similarity NPC327515
0.8804 High Similarity NPC269492
0.8438 Intermediate Similarity NPC323441
0.8191 Intermediate Similarity NPC148964
0.8182 Intermediate Similarity NPC325769
0.8021 Intermediate Similarity NPC157113
0.8021 Intermediate Similarity NPC62516
0.8 Intermediate Similarity NPC284865
0.7957 Intermediate Similarity NPC474700
0.7917 Intermediate Similarity NPC777
0.7912 Intermediate Similarity NPC201655
0.7912 Intermediate Similarity NPC224345
0.7857 Intermediate Similarity NPC288
0.7857 Intermediate Similarity NPC109059
0.7849 Intermediate Similarity NPC474511
0.7849 Intermediate Similarity NPC1753
0.7835 Intermediate Similarity NPC165616
0.7835 Intermediate Similarity NPC132824
0.7826 Intermediate Similarity NPC120395
0.7812 Intermediate Similarity NPC469982
0.781 Intermediate Similarity NPC193948
0.7789 Intermediate Similarity NPC38754
0.7778 Intermediate Similarity NPC474605
0.7778 Intermediate Similarity NPC476292
0.7765 Intermediate Similarity NPC36310
0.7755 Intermediate Similarity NPC187933
0.7745 Intermediate Similarity NPC292588
0.7742 Intermediate Similarity NPC173089
0.7742 Intermediate Similarity NPC158141
0.7732 Intermediate Similarity NPC147232
0.7708 Intermediate Similarity NPC118490
0.7708 Intermediate Similarity NPC199543
0.7708 Intermediate Similarity NPC202728
0.7708 Intermediate Similarity NPC158059
0.7708 Intermediate Similarity NPC118519
0.77 Intermediate Similarity NPC118964
0.7684 Intermediate Similarity NPC252737
0.7684 Intermediate Similarity NPC193750
0.7684 Intermediate Similarity NPC46441
0.7677 Intermediate Similarity NPC174663
0.7677 Intermediate Similarity NPC474724
0.7667 Intermediate Similarity NPC328264
0.766 Intermediate Similarity NPC474719
0.766 Intermediate Similarity NPC56413
0.766 Intermediate Similarity NPC474474
0.7653 Intermediate Similarity NPC327179
0.7647 Intermediate Similarity NPC213366
0.764 Intermediate Similarity NPC192744
0.764 Intermediate Similarity NPC28319
0.7634 Intermediate Similarity NPC229717
0.7629 Intermediate Similarity NPC474529
0.7629 Intermediate Similarity NPC272635
0.7629 Intermediate Similarity NPC169751
0.7629 Intermediate Similarity NPC191412
0.7629 Intermediate Similarity NPC114159
0.7629 Intermediate Similarity NPC6818
0.7604 Intermediate Similarity NPC250753
0.7604 Intermediate Similarity NPC198054
0.7604 Intermediate Similarity NPC187722
0.7604 Intermediate Similarity NPC235704
0.7604 Intermediate Similarity NPC174167
0.7604 Intermediate Similarity NPC160506
0.7604 Intermediate Similarity NPC474525
0.7604 Intermediate Similarity NPC105189
0.7604 Intermediate Similarity NPC470036
0.7604 Intermediate Similarity NPC6255
0.7604 Intermediate Similarity NPC471588
0.7604 Intermediate Similarity NPC471901
0.76 Intermediate Similarity NPC35239
0.76 Intermediate Similarity NPC46761
0.7596 Intermediate Similarity NPC153587
0.7582 Intermediate Similarity NPC69101
0.7582 Intermediate Similarity NPC476935
0.7582 Intermediate Similarity NPC251779
0.7579 Intermediate Similarity NPC57954
0.7579 Intermediate Similarity NPC213832
0.7576 Intermediate Similarity NPC259788
0.7576 Intermediate Similarity NPC255589
0.7558 Intermediate Similarity NPC177826
0.7556 Intermediate Similarity NPC104545
0.7556 Intermediate Similarity NPC37038
0.7556 Intermediate Similarity NPC476265
0.7556 Intermediate Similarity NPC477057
0.7556 Intermediate Similarity NPC274522
0.7553 Intermediate Similarity NPC33768
0.7551 Intermediate Similarity NPC266431
0.7551 Intermediate Similarity NPC210214
0.7551 Intermediate Similarity NPC195715
0.7549 Intermediate Similarity NPC90177
0.7528 Intermediate Similarity NPC476810
0.7528 Intermediate Similarity NPC63020
0.7527 Intermediate Similarity NPC474680
0.7526 Intermediate Similarity NPC229281
0.7526 Intermediate Similarity NPC473690
0.7526 Intermediate Similarity NPC263780
0.7526 Intermediate Similarity NPC287118
0.7526 Intermediate Similarity NPC224060
0.7526 Intermediate Similarity NPC471902
0.7526 Intermediate Similarity NPC244356
0.7524 Intermediate Similarity NPC16657
0.7524 Intermediate Similarity NPC204652
0.75 Intermediate Similarity NPC471037
0.75 Intermediate Similarity NPC227467
0.75 Intermediate Similarity NPC111214
0.75 Intermediate Similarity NPC210037
0.75 Intermediate Similarity NPC474728
0.75 Intermediate Similarity NPC120968
0.75 Intermediate Similarity NPC200752
0.75 Intermediate Similarity NPC290614
0.75 Intermediate Similarity NPC7260
0.75 Intermediate Similarity NPC291028
0.75 Intermediate Similarity NPC164349
0.75 Intermediate Similarity NPC29765
0.75 Intermediate Similarity NPC477872
0.75 Intermediate Similarity NPC104806
0.75 Intermediate Similarity NPC271614
0.75 Intermediate Similarity NPC477653
0.75 Intermediate Similarity NPC471038
0.75 Intermediate Similarity NPC169933
0.75 Intermediate Similarity NPC18872
0.75 Intermediate Similarity NPC273621
0.7477 Intermediate Similarity NPC40608
0.7476 Intermediate Similarity NPC98603
0.7475 Intermediate Similarity NPC158371
0.7475 Intermediate Similarity NPC13949
0.7475 Intermediate Similarity NPC207922
0.7475 Intermediate Similarity NPC98874
0.7475 Intermediate Similarity NPC259733
0.7475 Intermediate Similarity NPC219353
0.7475 Intermediate Similarity NPC470387
0.7475 Intermediate Similarity NPC116457
0.7474 Intermediate Similarity NPC4309
0.7474 Intermediate Similarity NPC471900
0.7473 Intermediate Similarity NPC221647
0.7473 Intermediate Similarity NPC267691
0.7473 Intermediate Similarity NPC263272
0.7473 Intermediate Similarity NPC274050
0.7473 Intermediate Similarity NPC162632
0.7471 Intermediate Similarity NPC255168
0.7451 Intermediate Similarity NPC272472
0.7449 Intermediate Similarity NPC303863
0.7449 Intermediate Similarity NPC78580
0.7449 Intermediate Similarity NPC160413
0.7449 Intermediate Similarity NPC23621
0.7449 Intermediate Similarity NPC247877
0.7449 Intermediate Similarity NPC184006
0.7449 Intermediate Similarity NPC309127
0.7449 Intermediate Similarity NPC209868
0.7447 Intermediate Similarity NPC248216
0.7447 Intermediate Similarity NPC12774
0.7447 Intermediate Similarity NPC187545
0.7447 Intermediate Similarity NPC2783
0.7447 Intermediate Similarity NPC324063
0.7447 Intermediate Similarity NPC56588
0.7444 Intermediate Similarity NPC231431
0.7444 Intermediate Similarity NPC199595
0.7429 Intermediate Similarity NPC211224
0.7426 Intermediate Similarity NPC287676
0.7426 Intermediate Similarity NPC474802
0.7423 Intermediate Similarity NPC230064
0.7423 Intermediate Similarity NPC324341
0.7423 Intermediate Similarity NPC475416
0.7423 Intermediate Similarity NPC155120
0.7423 Intermediate Similarity NPC77099
0.7423 Intermediate Similarity NPC966
0.7423 Intermediate Similarity NPC228784
0.7423 Intermediate Similarity NPC470590
0.7423 Intermediate Similarity NPC288833
0.7423 Intermediate Similarity NPC60755
0.7423 Intermediate Similarity NPC282616
0.7423 Intermediate Similarity NPC285184
0.7419 Intermediate Similarity NPC96095
0.7419 Intermediate Similarity NPC474233
0.7419 Intermediate Similarity NPC156981
0.7416 Intermediate Similarity NPC66105
0.7416 Intermediate Similarity NPC469867
0.7416 Intermediate Similarity NPC238227
0.7416 Intermediate Similarity NPC476811
0.7416 Intermediate Similarity NPC68828
0.7404 Intermediate Similarity NPC265127
0.74 Intermediate Similarity NPC106112
0.74 Intermediate Similarity NPC89225
0.74 Intermediate Similarity NPC9613
0.74 Intermediate Similarity NPC26413
0.74 Intermediate Similarity NPC247139
0.74 Intermediate Similarity NPC170131
0.74 Intermediate Similarity NPC261935
0.7396 Intermediate Similarity NPC477973
0.7396 Intermediate Similarity NPC290972
0.7396 Intermediate Similarity NPC112454
0.7396 Intermediate Similarity NPC470588
0.7396 Intermediate Similarity NPC25906
0.7396 Intermediate Similarity NPC198664
0.7396 Intermediate Similarity NPC274330
0.7396 Intermediate Similarity NPC11611
0.7396 Intermediate Similarity NPC143232
0.7396 Intermediate Similarity NPC64872
0.7396 Intermediate Similarity NPC30522
0.7391 Intermediate Similarity NPC469325

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC263977 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
0.7604 Intermediate Similarity NPD8035 Phase 2
0.7604 Intermediate Similarity NPD8034 Phase 2
0.74 Intermediate Similarity NPD7902 Approved
0.7396 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.734 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD7748 Approved
0.7245 Intermediate Similarity NPD7515 Phase 2
0.7172 Intermediate Similarity NPD6399 Phase 3
0.7157 Intermediate Similarity NPD5696 Approved
0.7103 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.71 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.71 Intermediate Similarity NPD7900 Approved
0.7045 Intermediate Similarity NPD6081 Approved
0.6961 Remote Similarity NPD7614 Phase 1
0.6916 Remote Similarity NPD7128 Approved
0.6916 Remote Similarity NPD6675 Approved
0.6916 Remote Similarity NPD5739 Approved
0.6916 Remote Similarity NPD6402 Approved
0.6907 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6903 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6893 Remote Similarity NPD6084 Phase 2
0.6893 Remote Similarity NPD6083 Phase 2
0.6881 Remote Similarity NPD6373 Approved
0.6881 Remote Similarity NPD6372 Approved
0.6809 Remote Similarity NPD4695 Discontinued
0.6796 Remote Similarity NPD7732 Phase 3
0.6789 Remote Similarity NPD6899 Approved
0.6789 Remote Similarity NPD7320 Approved
0.6789 Remote Similarity NPD6881 Approved
0.6771 Remote Similarity NPD4788 Approved
0.6768 Remote Similarity NPD6672 Approved
0.6768 Remote Similarity NPD5737 Approved
0.6757 Remote Similarity NPD6649 Approved
0.6757 Remote Similarity NPD6650 Approved
0.6735 Remote Similarity NPD6098 Approved
0.6733 Remote Similarity NPD6411 Approved
0.67 Remote Similarity NPD6080 Approved
0.67 Remote Similarity NPD6673 Approved
0.67 Remote Similarity NPD6904 Approved
0.6699 Remote Similarity NPD4629 Approved
0.6699 Remote Similarity NPD5695 Phase 3
0.6699 Remote Similarity NPD5210 Approved
0.6697 Remote Similarity NPD5697 Approved
0.6697 Remote Similarity NPD5701 Approved
0.6695 Remote Similarity NPD8328 Phase 3
0.6667 Remote Similarity NPD6883 Approved
0.6667 Remote Similarity NPD7290 Approved
0.6667 Remote Similarity NPD7102 Approved
0.6667 Remote Similarity NPD3573 Approved
0.6667 Remote Similarity NPD6116 Phase 1
0.6667 Remote Similarity NPD4224 Phase 2
0.6636 Remote Similarity NPD6011 Approved
0.6633 Remote Similarity NPD5329 Approved
0.6607 Remote Similarity NPD6847 Approved
0.6607 Remote Similarity NPD6617 Approved
0.6607 Remote Similarity NPD6869 Approved
0.6607 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6607 Remote Similarity NPD8130 Phase 1
0.66 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6596 Remote Similarity NPD3617 Approved
0.6577 Remote Similarity NPD6013 Approved
0.6577 Remote Similarity NPD6012 Approved
0.6577 Remote Similarity NPD6014 Approved
0.6571 Remote Similarity NPD4755 Approved
0.6569 Remote Similarity NPD5284 Approved
0.6569 Remote Similarity NPD5281 Approved
0.6559 Remote Similarity NPD6117 Approved
0.6556 Remote Similarity NPD4789 Approved
0.6549 Remote Similarity NPD8297 Approved
0.6549 Remote Similarity NPD6882 Approved
0.6538 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6535 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6535 Remote Similarity NPD4753 Phase 2
0.6535 Remote Similarity NPD6101 Approved
0.6531 Remote Similarity NPD4786 Approved
0.6531 Remote Similarity NPD4197 Approved
0.6522 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6517 Remote Similarity NPD5361 Clinical (unspecified phase)
0.6517 Remote Similarity NPD5360 Phase 3
0.6495 Remote Similarity NPD3667 Approved
0.6476 Remote Similarity NPD4697 Phase 3
0.6466 Remote Similarity NPD7115 Discovery
0.6452 Remote Similarity NPD3702 Approved
0.6449 Remote Similarity NPD5286 Approved
0.6449 Remote Similarity NPD4700 Approved
0.6449 Remote Similarity NPD4696 Approved
0.6449 Remote Similarity NPD5285 Approved
0.6421 Remote Similarity NPD6115 Approved
0.6421 Remote Similarity NPD6697 Approved
0.6421 Remote Similarity NPD6114 Approved
0.6421 Remote Similarity NPD6118 Approved
0.6408 Remote Similarity NPD5693 Phase 1
0.6408 Remote Similarity NPD6050 Approved
0.64 Remote Similarity NPD7146 Approved
0.64 Remote Similarity NPD6409 Approved
0.64 Remote Similarity NPD7334 Approved
0.64 Remote Similarity NPD7521 Approved
0.64 Remote Similarity NPD3618 Phase 1
0.64 Remote Similarity NPD5330 Approved
0.64 Remote Similarity NPD6684 Approved
0.6389 Remote Similarity NPD5223 Approved
0.6387 Remote Similarity NPD6921 Approved
0.6373 Remote Similarity NPD5328 Approved
0.6348 Remote Similarity NPD4632 Approved
0.6341 Remote Similarity NPD7736 Approved
0.633 Remote Similarity NPD5226 Approved
0.633 Remote Similarity NPD4633 Approved
0.633 Remote Similarity NPD5224 Approved
0.633 Remote Similarity NPD5225 Approved
0.633 Remote Similarity NPD5211 Phase 2
0.6327 Remote Similarity NPD4221 Approved
0.6327 Remote Similarity NPD4223 Phase 3
0.6321 Remote Similarity NPD5221 Approved
0.6321 Remote Similarity NPD5222 Approved
0.6321 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6311 Remote Similarity NPD5692 Phase 3
0.6306 Remote Similarity NPD6008 Approved
0.6304 Remote Similarity NPD5777 Approved
0.6304 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6304 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6303 Remote Similarity NPD6319 Approved
0.6283 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6275 Remote Similarity NPD6903 Approved
0.6273 Remote Similarity NPD5175 Approved
0.6273 Remote Similarity NPD4754 Approved
0.6273 Remote Similarity NPD5174 Approved
0.6271 Remote Similarity NPD6335 Approved
0.6264 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6264 Remote Similarity NPD3700 Clinical (unspecified phase)
0.6262 Remote Similarity NPD5173 Approved
0.625 Remote Similarity NPD6079 Approved
0.625 Remote Similarity NPD6614 Approved
0.625 Remote Similarity NPD5694 Approved
0.6239 Remote Similarity NPD6274 Approved
0.6238 Remote Similarity NPD4694 Approved
0.6238 Remote Similarity NPD5690 Phase 2
0.6238 Remote Similarity NPD5280 Approved
0.623 Remote Similarity NPD7492 Approved
0.6228 Remote Similarity NPD4634 Approved
0.6224 Remote Similarity NPD5369 Approved
0.6218 Remote Similarity NPD7101 Approved
0.6218 Remote Similarity NPD7100 Approved
0.6216 Remote Similarity NPD5141 Approved
0.6207 Remote Similarity NPD8133 Approved
0.6204 Remote Similarity NPD7638 Approved
0.62 Remote Similarity NPD3668 Phase 3
0.62 Remote Similarity NPD3665 Phase 1
0.62 Remote Similarity NPD3666 Approved
0.62 Remote Similarity NPD3133 Approved
0.6196 Remote Similarity NPD4244 Approved
0.6196 Remote Similarity NPD4245 Approved
0.619 Remote Similarity NPD4202 Approved
0.619 Remote Similarity NPD5779 Approved
0.619 Remote Similarity NPD5778 Approved
0.6186 Remote Similarity NPD6317 Approved
0.6186 Remote Similarity NPD7645 Phase 2
0.6186 Remote Similarity NPD6009 Approved
0.6182 Remote Similarity NPD5091 Approved
0.6179 Remote Similarity NPD6616 Approved
0.6167 Remote Similarity NPD6059 Approved
0.6167 Remote Similarity NPD6054 Approved
0.6161 Remote Similarity NPD4767 Approved
0.6161 Remote Similarity NPD4768 Approved
0.6147 Remote Similarity NPD7639 Approved
0.6147 Remote Similarity NPD7640 Approved
0.6134 Remote Similarity NPD6313 Approved
0.6134 Remote Similarity NPD6314 Approved
0.6132 Remote Similarity NPD5282 Discontinued
0.6132 Remote Similarity NPD6001 Approved
0.6129 Remote Similarity NPD7078 Approved
0.6129 Remote Similarity NPD8293 Discontinued
0.6129 Remote Similarity NPD4758 Discontinued
0.6122 Remote Similarity NPD7525 Registered
0.6117 Remote Similarity NPD5208 Approved
0.6116 Remote Similarity NPD6908 Approved
0.6116 Remote Similarity NPD6909 Approved
0.6116 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6105 Remote Similarity NPD3703 Phase 2
0.6102 Remote Similarity NPD6868 Approved
0.6087 Remote Similarity NPD3698 Phase 2
0.6082 Remote Similarity NPD5364 Discontinued
0.6078 Remote Similarity NPD5279 Phase 3
0.6078 Remote Similarity NPD4138 Approved
0.6078 Remote Similarity NPD4690 Approved
0.6078 Remote Similarity NPD5205 Approved
0.6078 Remote Similarity NPD4688 Approved
0.6078 Remote Similarity NPD4693 Phase 3
0.6078 Remote Similarity NPD4689 Approved
0.6078 Remote Similarity NPD4623 Approved
0.6078 Remote Similarity NPD4519 Discontinued
0.6075 Remote Similarity NPD5654 Approved
0.6066 Remote Similarity NPD6370 Approved
0.6061 Remote Similarity NPD4139 Approved
0.6061 Remote Similarity NPD4692 Approved
0.6055 Remote Similarity NPD4225 Approved
0.6053 Remote Similarity NPD4730 Approved
0.6053 Remote Similarity NPD4729 Approved
0.6053 Remote Similarity NPD5128 Approved
0.6016 Remote Similarity NPD7604 Phase 2
0.6 Remote Similarity NPD3171 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   57398141
ChEMBL   CHEMBL1911626
ZINC  

Physicochemical Properties

Molecular Weight:  444.25
ALogP:  1.2616
MLogP:  3.66
XLogP:  4.172
# Rotatable Bonds:  10
Polar Surface Area:  97.74
# H-Bond Aceptor:  6
# H-Bond Donor:  1
# Rings:  4
# Heavy Atoms:  32

Download Data

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