Natural Product: NPC250757

Natural Product ID:  NPC250757
Common Name:   Stellettin L
IUPAC Name:   (2E,4E,6E,8E,10E)-10-[(3aS,5aR,7S,9aR,9bS)-7-hydroxy-3a,6,6,9a-tetramethyl-2-oxo-1,4,5,5a,7,8,9,9b-octahydrocyclopenta[a]naphthalen-3-ylidene]-2,6-dimethylundeca-2,4,6,8-tetraenoic acid
Synonyms:   stellettin L
Molecular Formula:   C30H42O4
Standard InCHIKey:  HQKNXSLBDXDYEF-ZMTCAJFBSA-N
Standard InCHI:  InChI=1S/C30H42O4/c1-19(11-9-13-21(3)27(33)34)10-8-12-20(2)26-22(31)18-24-29(6)17-15-25(32)28(4,5)23(29)14-16-30(24,26)7/h8-13,23-25,32H,14-18H2,1-7H3,(H,33,34)/b11-9+,12-8+,19-10+,21-13+,26-20-/t23-,24-,25-,29-,30-/m0/s1
Canonical SMILES:  C/C(=CC=CC(=C/1C(=O)C[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@@H](C1(C)C)O)C)/C=C/C=C(/C(=O)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
NPO33155 stelletta tenuis Species Ancorinidae Eukaryota PMID[17604394]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT659 Cell Line SMMC-7721 Homo sapiens IC50 = 120000 nM 9784156
NPT81 Cell Line A549 Homo sapiens IC50 = 28000 nM 9784156
NPT139 Cell Line HT-29 Homo sapiens IC50 = 33000 nM 18725180
NPT196 Cell Line AGS Homo sapiens IC50 = 3900 nM 18276144

  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 NPC250757 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
1.0 High Similarity NPC301534
0.957 High Similarity NPC282524
0.9565 High Similarity NPC108368
0.9565 High Similarity NPC57079
0.9556 High Similarity NPC299100
0.9462 High Similarity NPC266955
0.9451 High Similarity NPC180950
0.9362 High Similarity NPC115899
0.9341 High Similarity NPC474690
0.9239 High Similarity NPC88310
0.9167 High Similarity NPC72151
0.9167 High Similarity NPC475050
0.914 High Similarity NPC471153
0.9121 High Similarity NPC473986
0.9121 High Similarity NPC474018
0.9101 High Similarity NPC141292
0.9062 High Similarity NPC114540
0.9062 High Similarity NPC155332
0.9062 High Similarity NPC32577
0.9062 High Similarity NPC320447
0.9043 High Similarity NPC474785
0.9043 High Similarity NPC253826
0.9043 High Similarity NPC474938
0.9011 High Similarity NPC475965
0.9011 High Similarity NPC474842
0.9 High Similarity NPC104560
0.9 High Similarity NPC292491
0.9 High Similarity NPC310752
0.898 High Similarity NPC266570
0.8947 High Similarity NPC103051
0.8925 High Similarity NPC469406
0.8889 High Similarity NPC473284
0.8854 High Similarity NPC35751
0.8842 High Similarity NPC108078
0.883 High Similarity NPC476174
0.8817 High Similarity NPC214697
0.8788 High Similarity NPC189863
0.8776 High Similarity NPC473283
0.8776 High Similarity NPC475526
0.8776 High Similarity NPC329345
0.8763 High Similarity NPC118174
0.8763 High Similarity NPC476240
0.8763 High Similarity NPC224720
0.8763 High Similarity NPC476223
0.875 High Similarity NPC235464
0.875 High Similarity NPC166745
0.8737 High Similarity NPC472941
0.8737 High Similarity NPC456
0.8723 High Similarity NPC8993
0.871 High Similarity NPC473998
0.871 High Similarity NPC475806
0.871 High Similarity NPC212948
0.87 High Similarity NPC329048
0.87 High Similarity NPC330011
0.8696 High Similarity NPC309603
0.8696 High Similarity NPC214387
0.8696 High Similarity NPC262858
0.8696 High Similarity NPC472240
0.8696 High Similarity NPC473999
0.8673 High Similarity NPC293753
0.8667 High Similarity NPC109528
0.866 High Similarity NPC470074
0.866 High Similarity NPC476274
0.8652 High Similarity NPC279639
0.8652 High Similarity NPC3856
0.8646 High Similarity NPC110937
0.8646 High Similarity NPC99726
0.8646 High Similarity NPC320306
0.8646 High Similarity NPC2049
0.8632 High Similarity NPC139459
0.8617 High Similarity NPC476304
0.8602 High Similarity NPC477147
0.8602 High Similarity NPC48010
0.8602 High Similarity NPC477149
0.8571 High Similarity NPC194028
0.8571 High Similarity NPC168319
0.8557 High Similarity NPC48647
0.8557 High Similarity NPC478056
0.8557 High Similarity NPC114274
0.8557 High Similarity NPC471717
0.8544 High Similarity NPC474315
0.8542 High Similarity NPC122324
0.8542 High Similarity NPC29152
0.8542 High Similarity NPC151725
0.8542 High Similarity NPC249954
0.8542 High Similarity NPC106425
0.8539 High Similarity NPC469804
0.8539 High Similarity NPC469805
0.8539 High Similarity NPC469799
0.8539 High Similarity NPC469806
0.8529 High Similarity NPC475065
0.8526 High Similarity NPC476186
0.8526 High Similarity NPC49670
0.8526 High Similarity NPC473431
0.8526 High Similarity NPC471078
0.8526 High Similarity NPC473280
0.8526 High Similarity NPC473435
0.8511 High Similarity NPC272746
0.8511 High Similarity NPC204341
0.8511 High Similarity NPC74296
0.8511 High Similarity NPC110923
0.8495 Intermediate Similarity NPC475921
0.8495 Intermediate Similarity NPC262043
0.8495 Intermediate Similarity NPC77168
0.8495 Intermediate Similarity NPC102414
0.8495 Intermediate Similarity NPC66344
0.8495 Intermediate Similarity NPC474704
0.8495 Intermediate Similarity NPC146554
0.8495 Intermediate Similarity NPC84271
0.8495 Intermediate Similarity NPC36668
0.8495 Intermediate Similarity NPC128496
0.8495 Intermediate Similarity NPC118011
0.8495 Intermediate Similarity NPC472983
0.8485 Intermediate Similarity NPC234892
0.8485 Intermediate Similarity NPC136289
0.8478 Intermediate Similarity NPC474684
0.8478 Intermediate Similarity NPC236618
0.8478 Intermediate Similarity NPC142361
0.8469 Intermediate Similarity NPC327431
0.8469 Intermediate Similarity NPC287833
0.8469 Intermediate Similarity NPC201406
0.8462 Intermediate Similarity NPC470574
0.8462 Intermediate Similarity NPC475970
0.8454 Intermediate Similarity NPC156546
0.8454 Intermediate Similarity NPC141401
0.8444 Intermediate Similarity NPC97913
0.8444 Intermediate Similarity NPC79945
0.8438 Intermediate Similarity NPC174948
0.8438 Intermediate Similarity NPC173875
0.8438 Intermediate Similarity NPC259286
0.8438 Intermediate Similarity NPC271195
0.8438 Intermediate Similarity NPC318282
0.8438 Intermediate Similarity NPC469995
0.8431 Intermediate Similarity NPC475418
0.8431 Intermediate Similarity NPC318363
0.8431 Intermediate Similarity NPC473482
0.8421 Intermediate Similarity NPC69454
0.8421 Intermediate Similarity NPC38232
0.8421 Intermediate Similarity NPC139692
0.8421 Intermediate Similarity NPC474736
0.8421 Intermediate Similarity NPC472871
0.8421 Intermediate Similarity NPC109305
0.8404 Intermediate Similarity NPC469400
0.8404 Intermediate Similarity NPC126993
0.84 Intermediate Similarity NPC112009
0.84 Intermediate Similarity NPC476237
0.8387 Intermediate Similarity NPC48107
0.8387 Intermediate Similarity NPC472870
0.8387 Intermediate Similarity NPC7280
0.8387 Intermediate Similarity NPC117122
0.8387 Intermediate Similarity NPC229612
0.8384 Intermediate Similarity NPC81530
0.8384 Intermediate Similarity NPC99411
0.8384 Intermediate Similarity NPC472924
0.837 Intermediate Similarity NPC82979
0.837 Intermediate Similarity NPC473226
0.837 Intermediate Similarity NPC322159
0.837 Intermediate Similarity NPC472869
0.837 Intermediate Similarity NPC186975
0.8367 Intermediate Similarity NPC197386
0.8367 Intermediate Similarity NPC186810
0.8367 Intermediate Similarity NPC316598
0.8352 Intermediate Similarity NPC19849
0.8352 Intermediate Similarity NPC165064
0.8352 Intermediate Similarity NPC302360
0.8352 Intermediate Similarity NPC164577
0.8352 Intermediate Similarity NPC472864
0.8351 Intermediate Similarity NPC114743
0.8351 Intermediate Similarity NPC242848
0.8351 Intermediate Similarity NPC134072
0.8351 Intermediate Similarity NPC7124
0.8351 Intermediate Similarity NPC328371
0.8351 Intermediate Similarity NPC195366
0.8351 Intermediate Similarity NPC234993
0.8351 Intermediate Similarity NPC190713
0.8333 Intermediate Similarity NPC166906
0.8333 Intermediate Similarity NPC279410
0.8333 Intermediate Similarity NPC472925
0.8333 Intermediate Similarity NPC119562
0.8333 Intermediate Similarity NPC2524
0.8317 Intermediate Similarity NPC472868
0.8316 Intermediate Similarity NPC470113
0.8316 Intermediate Similarity NPC63748
0.8316 Intermediate Similarity NPC158030
0.8316 Intermediate Similarity NPC189520
0.8316 Intermediate Similarity NPC86266
0.8316 Intermediate Similarity NPC65120
0.8316 Intermediate Similarity NPC145067
0.8316 Intermediate Similarity NPC212301
0.8316 Intermediate Similarity NPC110657
0.8316 Intermediate Similarity NPC472978
0.8316 Intermediate Similarity NPC476187
0.8316 Intermediate Similarity NPC233116
0.8316 Intermediate Similarity NPC4036
0.8316 Intermediate Similarity NPC233455
0.8315 Intermediate Similarity NPC469797
0.8315 Intermediate Similarity NPC281880
0.8315 Intermediate Similarity NPC469798
0.8298 Intermediate Similarity NPC310236
0.8298 Intermediate Similarity NPC472973

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC250757 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
0.8511 High Similarity NPD6079 Approved
0.837 Intermediate Similarity NPD3618 Phase 1
0.8316 Intermediate Similarity NPD7515 Phase 2
0.8298 Intermediate Similarity NPD5328 Approved
0.8283 Intermediate Similarity NPD7639 Approved
0.8283 Intermediate Similarity NPD7640 Approved
0.8182 Intermediate Similarity NPD7638 Approved
0.8163 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.8163 Intermediate Similarity NPD5221 Approved
0.8163 Intermediate Similarity NPD5222 Approved
0.8119 Intermediate Similarity NPD5211 Phase 2
0.8081 Intermediate Similarity NPD5173 Approved
0.8077 Intermediate Similarity NPD6899 Approved
0.8077 Intermediate Similarity NPD6881 Approved
0.7982 Intermediate Similarity NPD7115 Discovery
0.7981 Intermediate Similarity NPD5697 Approved
0.7961 Intermediate Similarity NPD5141 Approved
0.7959 Intermediate Similarity NPD7748 Approved
0.7957 Intermediate Similarity NPD3665 Phase 1
0.7957 Intermediate Similarity NPD3666 Approved
0.7957 Intermediate Similarity NPD3133 Approved
0.7957 Intermediate Similarity NPD4786 Approved
0.7935 Intermediate Similarity NPD3667 Approved
0.7925 Intermediate Similarity NPD6883 Approved
0.7925 Intermediate Similarity NPD7290 Approved
0.7925 Intermediate Similarity NPD7102 Approved
0.7921 Intermediate Similarity NPD5285 Approved
0.7921 Intermediate Similarity NPD5286 Approved
0.7921 Intermediate Similarity NPD4696 Approved
0.7905 Intermediate Similarity NPD6011 Approved
0.7889 Intermediate Similarity NPD5784 Clinical (unspecified phase)
0.7885 Intermediate Similarity NPD6402 Approved
0.7885 Intermediate Similarity NPD5739 Approved
0.7885 Intermediate Similarity NPD7128 Approved
0.7885 Intermediate Similarity NPD6675 Approved
0.7872 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7857 Intermediate Similarity NPD6399 Phase 3
0.7857 Intermediate Similarity NPD4202 Approved
0.785 Intermediate Similarity NPD6650 Approved
0.785 Intermediate Similarity NPD6617 Approved
0.785 Intermediate Similarity NPD6649 Approved
0.785 Intermediate Similarity NPD6869 Approved
0.785 Intermediate Similarity NPD8130 Phase 1
0.785 Intermediate Similarity NPD6847 Approved
0.7843 Intermediate Similarity NPD5223 Approved
0.783 Intermediate Similarity NPD6013 Approved
0.783 Intermediate Similarity NPD6012 Approved
0.783 Intermediate Similarity NPD6014 Approved
0.78 Intermediate Similarity NPD4697 Phase 3
0.7789 Intermediate Similarity NPD6409 Approved
0.7789 Intermediate Similarity NPD6684 Approved
0.7789 Intermediate Similarity NPD7334 Approved
0.7789 Intermediate Similarity NPD7521 Approved
0.7789 Intermediate Similarity NPD5279 Phase 3
0.7789 Intermediate Similarity NPD5330 Approved
0.7789 Intermediate Similarity NPD7146 Approved
0.7778 Intermediate Similarity NPD6882 Approved
0.7778 Intermediate Similarity NPD8297 Approved
0.7767 Intermediate Similarity NPD5224 Approved
0.7767 Intermediate Similarity NPD5226 Approved
0.7767 Intermediate Similarity NPD4633 Approved
0.7767 Intermediate Similarity NPD5225 Approved
0.7755 Intermediate Similarity NPD5284 Approved
0.7755 Intermediate Similarity NPD5281 Approved
0.7736 Intermediate Similarity NPD7320 Approved
0.7723 Intermediate Similarity NPD6083 Phase 2
0.7723 Intermediate Similarity NPD7902 Approved
0.7723 Intermediate Similarity NPD4755 Approved
0.7723 Intermediate Similarity NPD6084 Phase 2
0.7692 Intermediate Similarity NPD5174 Approved
0.7692 Intermediate Similarity NPD5175 Approved
0.7684 Intermediate Similarity NPD5363 Approved
0.7664 Intermediate Similarity NPD6372 Approved
0.7664 Intermediate Similarity NPD6373 Approved
0.7653 Intermediate Similarity NPD5785 Approved
0.7647 Intermediate Similarity NPD4225 Approved
0.7642 Intermediate Similarity NPD5701 Approved
0.7629 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7629 Intermediate Similarity NPD6672 Approved
0.7629 Intermediate Similarity NPD5737 Approved
0.7629 Intermediate Similarity NPD6903 Approved
0.7604 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7596 Intermediate Similarity NPD7632 Discontinued
0.7576 Intermediate Similarity NPD7637 Suspended
0.7573 Intermediate Similarity NPD4700 Approved
0.7568 Intermediate Similarity NPD6868 Approved
0.7553 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7551 Intermediate Similarity NPD4753 Phase 2
0.7545 Intermediate Similarity NPD4632 Approved
0.7525 Intermediate Similarity NPD5210 Approved
0.7525 Intermediate Similarity NPD4629 Approved
0.7523 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD1694 Approved
0.7434 Intermediate Similarity NPD6335 Approved
0.7426 Intermediate Similarity NPD7900 Approved
0.7426 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7423 Intermediate Similarity NPD4519 Discontinued
0.7423 Intermediate Similarity NPD4623 Approved
0.7407 Intermediate Similarity NPD4730 Approved
0.7407 Intermediate Similarity NPD5168 Approved
0.7407 Intermediate Similarity NPD4729 Approved
0.7404 Intermediate Similarity NPD6404 Discontinued
0.74 Intermediate Similarity NPD8035 Phase 2
0.74 Intermediate Similarity NPD8034 Phase 2
0.7396 Intermediate Similarity NPD3668 Phase 3
0.7374 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.7368 Intermediate Similarity NPD4221 Approved
0.7368 Intermediate Similarity NPD7100 Approved
0.7368 Intermediate Similarity NPD4223 Phase 3
0.7368 Intermediate Similarity NPD7101 Approved
0.7368 Intermediate Similarity NPD4270 Approved
0.7368 Intermediate Similarity NPD4269 Approved
0.7358 Intermediate Similarity NPD4754 Approved
0.7353 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7353 Intermediate Similarity NPD5695 Phase 3
0.7347 Intermediate Similarity NPD3573 Approved
0.7345 Intermediate Similarity NPD6317 Approved
0.7345 Intermediate Similarity NPD6009 Approved
0.734 Intermediate Similarity NPD7525 Registered
0.7327 Intermediate Similarity NPD5779 Approved
0.7327 Intermediate Similarity NPD5778 Approved
0.732 Intermediate Similarity NPD5329 Approved
0.7308 Intermediate Similarity NPD5696 Approved
0.7292 Intermediate Similarity NPD4788 Approved
0.7292 Intermediate Similarity NPD5362 Discontinued
0.7283 Intermediate Similarity NPD6117 Approved
0.7281 Intermediate Similarity NPD6314 Approved
0.7281 Intermediate Similarity NPD6313 Approved
0.7273 Intermediate Similarity NPD5247 Approved
0.7273 Intermediate Similarity NPD5249 Phase 3
0.7273 Intermediate Similarity NPD5135 Approved
0.7273 Intermediate Similarity NPD5169 Approved
0.7273 Intermediate Similarity NPD5251 Approved
0.7273 Intermediate Similarity NPD5250 Approved
0.7273 Intermediate Similarity NPD4634 Approved
0.7273 Intermediate Similarity NPD5134 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD5248 Approved
0.7257 Intermediate Similarity NPD6274 Approved
0.7253 Intermediate Similarity NPD4058 Approved
0.7248 Intermediate Similarity NPD5128 Approved
0.7245 Intermediate Similarity NPD5280 Approved
0.7245 Intermediate Similarity NPD4694 Approved
0.7245 Intermediate Similarity NPD5690 Phase 2
0.7228 Intermediate Similarity NPD6411 Approved
0.7228 Intermediate Similarity NPD5694 Approved
0.7228 Intermediate Similarity NPD6050 Approved
0.7222 Intermediate Similarity NPD4768 Approved
0.7222 Intermediate Similarity NPD4767 Approved
0.7216 Intermediate Similarity NPD4197 Approved
0.7207 Intermediate Similarity NPD5217 Approved
0.7207 Intermediate Similarity NPD5216 Approved
0.7207 Intermediate Similarity NPD5215 Approved
0.7207 Intermediate Similarity NPD5127 Approved
0.7204 Intermediate Similarity NPD6116 Phase 1
0.72 Intermediate Similarity NPD6904 Approved
0.72 Intermediate Similarity NPD6080 Approved
0.72 Intermediate Similarity NPD6673 Approved
0.7158 Intermediate Similarity NPD4252 Approved
0.7158 Intermediate Similarity NPD4695 Discontinued
0.7158 Intermediate Similarity NPD8259 Clinical (unspecified phase)
0.7155 Intermediate Similarity NPD6319 Approved
0.7143 Intermediate Similarity NPD1696 Phase 3
0.7129 Intermediate Similarity NPD5207 Approved
0.7129 Intermediate Similarity NPD5692 Phase 3
0.7128 Intermediate Similarity NPD6114 Approved
0.7128 Intermediate Similarity NPD6118 Approved
0.7128 Intermediate Similarity NPD6115 Approved
0.7128 Intermediate Similarity NPD3617 Approved
0.7128 Intermediate Similarity NPD6697 Approved
0.7119 Intermediate Similarity NPD7604 Phase 2
0.7094 Intermediate Similarity NPD5983 Phase 2
0.7094 Intermediate Similarity NPD6291 Clinical (unspecified phase)
0.7091 Intermediate Similarity NPD6686 Approved
0.7071 Intermediate Similarity NPD4688 Approved
0.7071 Intermediate Similarity NPD4693 Phase 3
0.7071 Intermediate Similarity NPD4690 Approved
0.7071 Intermediate Similarity NPD4689 Approved
0.7071 Intermediate Similarity NPD5786 Approved
0.7071 Intermediate Similarity NPD5205 Approved
0.7071 Intermediate Similarity NPD4138 Approved
0.7065 Intermediate Similarity NPD6926 Approved
0.7065 Intermediate Similarity NPD6924 Approved
0.7065 Intermediate Similarity NPD6113 Clinical (unspecified phase)
0.7064 Intermediate Similarity NPD6008 Approved
0.7059 Intermediate Similarity NPD5693 Phase 1
0.7059 Intermediate Similarity NPD7492 Approved
0.7053 Intermediate Similarity NPD6929 Approved
0.7053 Intermediate Similarity NPD4195 Approved
0.7033 Intermediate Similarity NPD7151 Approved
0.7033 Intermediate Similarity NPD7152 Approved
0.7033 Intermediate Similarity NPD7150 Approved
0.703 Intermediate Similarity NPD6101 Approved
0.703 Intermediate Similarity NPD5764 Clinical (unspecified phase)
0.7018 Intermediate Similarity NPD5167 Approved
0.7009 Intermediate Similarity NPD6054 Approved
0.7 Intermediate Similarity NPD6412 Phase 2
0.7 Intermediate Similarity NPD6616 Approved
0.7 Intermediate Similarity NPD6336 Discontinued
0.6989 Remote Similarity NPD6942 Approved
0.6989 Remote Similarity NPD7339 Approved

Structure

External Identifiers

PubChem CID   16756664
ChEMBL   CHEMBL228656
ZINC  

Physicochemical Properties

Molecular Weight:  466.31
ALogP:  3.7923
MLogP:  4.32
XLogP:  6.403
# Rotatable Bonds:  14
Polar Surface Area:  74.6
# H-Bond Aceptor:  4
# H-Bond Donor:  2
# Rings:  3
# Heavy Atoms:  34

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
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