Natural Product: NPC157739

Natural Product ID:  NPC157739
Common Name:   Stereonsteroid D
IUPAC Name:   [(3S,5S,8S,9S,10R,13R,14S,17R)-3-[(2R,3S,4S,5S,6S)-5-acetyloxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-17-ethenyl-13-methyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-10-yl]methyl acetate
Synonyms:   Stereonsteroid D
Molecular Formula:   C31H48O8
Standard InCHIKey:  ZIRCQXRSWINRFQ-VBWNICJHSA-N
Standard InCHI:  InChI=1S/C31H48O8/c1-6-20-8-10-24-23-9-7-21-15-22(39-29-27(35)26(34)28(17(2)37-29)38-19(4)33)11-14-31(21,16-36-18(3)32)25(23)12-13-30(20,24)5/h6,17,20-29,34-35H,1,7-16H2,2-5H3/t17-,20-,21-,22-,23-,24-,25-,26-,27-,28+,29-,30+,31+/m0/s1
Canonical SMILES:  C=C[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@@]1(CC[C@@H](C2)O[C@@H]1O[C@@H](C)[C@H]([C@H]([C@@H]1O)O)OC(=O)C)COC(=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
NPO33076 stereonephthya crystalliana Species Nephtheidae Eukaryota PMID[16441077]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT139 Cell Line HT-29 Homo sapiens ED50 = 5.2 ug/ml 13678412
NPT168 Cell Line P388 Mus musculus IC50 = 4.9 ug/ml 13678412

  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 NPC157739 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
0.989 High Similarity NPC471770
0.989 High Similarity NPC473555
0.989 High Similarity NPC278939
0.9677 High Similarity NPC317019
0.9341 High Similarity NPC48463
0.9184 High Similarity NPC473199
0.9091 High Similarity NPC234160
0.9072 High Similarity NPC154452
0.9 High Similarity NPC472988
0.9 High Similarity NPC230888
0.9 High Similarity NPC38217
0.899 High Similarity NPC165405
0.8969 High Similarity NPC21064
0.8969 High Similarity NPC121072
0.8947 High Similarity NPC472989
0.8911 High Similarity NPC125361
0.8911 High Similarity NPC43976
0.8911 High Similarity NPC51925
0.8911 High Similarity NPC296761
0.8911 High Similarity NPC154085
0.8878 High Similarity NPC94919
0.8866 High Similarity NPC473200
0.8866 High Similarity NPC7341
0.8812 High Similarity NPC88744
0.8776 High Similarity NPC88000
0.8776 High Similarity NPC309425
0.8776 High Similarity NPC4831
0.8776 High Similarity NPC129372
0.8776 High Similarity NPC472023
0.8776 High Similarity NPC160734
0.8776 High Similarity NPC47566
0.8763 High Similarity NPC234287
0.8763 High Similarity NPC280825
0.8738 High Similarity NPC65167
0.8738 High Similarity NPC114188
0.8725 High Similarity NPC51947
0.8725 High Similarity NPC91583
0.8725 High Similarity NPC240125
0.8725 High Similarity NPC473844
0.8713 High Similarity NPC470169
0.8713 High Similarity NPC470170
0.87 High Similarity NPC312774
0.87 High Similarity NPC475365
0.8687 High Similarity NPC312553
0.8687 High Similarity NPC136816
0.8687 High Similarity NPC288694
0.8687 High Similarity NPC159036
0.866 High Similarity NPC76486
0.8627 High Similarity NPC295980
0.86 High Similarity NPC245280
0.86 High Similarity NPC211879
0.86 High Similarity NPC8039
0.86 High Similarity NPC473198
0.86 High Similarity NPC157659
0.86 High Similarity NPC120123
0.86 High Similarity NPC31907
0.86 High Similarity NPC189852
0.86 High Similarity NPC155010
0.86 High Similarity NPC16573
0.86 High Similarity NPC213190
0.86 High Similarity NPC131479
0.86 High Similarity NPC473020
0.86 High Similarity NPC114874
0.86 High Similarity NPC286969
0.86 High Similarity NPC472252
0.86 High Similarity NPC16520
0.8586 High Similarity NPC31346
0.8571 High Similarity NPC144068
0.8571 High Similarity NPC158088
0.8571 High Similarity NPC477928
0.8558 High Similarity NPC204392
0.8558 High Similarity NPC11035
0.8558 High Similarity NPC263827
0.8558 High Similarity NPC285410
0.8558 High Similarity NPC1876
0.8558 High Similarity NPC240734
0.8558 High Similarity NPC91838
0.8558 High Similarity NPC250481
0.8558 High Similarity NPC275668
0.8558 High Similarity NPC272242
0.8557 High Similarity NPC207617
0.8542 High Similarity NPC211238
0.8542 High Similarity NPC151214
0.8542 High Similarity NPC191915
0.8529 High Similarity NPC287269
0.8515 High Similarity NPC273879
0.8515 High Similarity NPC85593
0.8515 High Similarity NPC165033
0.8515 High Similarity NPC31430
0.8515 High Similarity NPC173583
0.85 High Similarity NPC272015
0.85 High Similarity NPC470053
0.8485 Intermediate Similarity NPC91497
0.8485 Intermediate Similarity NPC282669
0.8476 Intermediate Similarity NPC470543
0.8476 Intermediate Similarity NPC243572
0.8469 Intermediate Similarity NPC473890
0.8469 Intermediate Similarity NPC243728
0.8462 Intermediate Similarity NPC129340
0.8454 Intermediate Similarity NPC94582
0.8454 Intermediate Similarity NPC57964
0.8447 Intermediate Similarity NPC295389
0.8447 Intermediate Similarity NPC224414
0.8447 Intermediate Similarity NPC472897
0.8447 Intermediate Similarity NPC472896
0.8438 Intermediate Similarity NPC474835
0.8431 Intermediate Similarity NPC127801
0.8431 Intermediate Similarity NPC472898
0.8431 Intermediate Similarity NPC269627
0.8431 Intermediate Similarity NPC160816
0.8431 Intermediate Similarity NPC472899
0.8431 Intermediate Similarity NPC69737
0.8431 Intermediate Similarity NPC152584
0.8431 Intermediate Similarity NPC194842
0.8431 Intermediate Similarity NPC208477
0.8431 Intermediate Similarity NPC208594
0.8431 Intermediate Similarity NPC472900
0.8416 Intermediate Similarity NPC471467
0.8411 Intermediate Similarity NPC199428
0.8411 Intermediate Similarity NPC99620
0.8411 Intermediate Similarity NPC5311
0.8411 Intermediate Similarity NPC310341
0.8411 Intermediate Similarity NPC193382
0.8404 Intermediate Similarity NPC263079
0.84 Intermediate Similarity NPC470054
0.84 Intermediate Similarity NPC267510
0.8396 Intermediate Similarity NPC102619
0.8396 Intermediate Similarity NPC73986
0.8396 Intermediate Similarity NPC146563
0.8384 Intermediate Similarity NPC469725
0.8381 Intermediate Similarity NPC470748
0.8367 Intermediate Similarity NPC296936
0.8367 Intermediate Similarity NPC252056
0.8367 Intermediate Similarity NPC237071
0.8367 Intermediate Similarity NPC238796
0.8367 Intermediate Similarity NPC203434
0.8365 Intermediate Similarity NPC473570
0.8365 Intermediate Similarity NPC8431
0.8365 Intermediate Similarity NPC265655
0.8351 Intermediate Similarity NPC305160
0.835 Intermediate Similarity NPC470166
0.835 Intermediate Similarity NPC231340
0.835 Intermediate Similarity NPC473469
0.835 Intermediate Similarity NPC63368
0.835 Intermediate Similarity NPC208650
0.835 Intermediate Similarity NPC181467
0.835 Intermediate Similarity NPC14946
0.8333 Intermediate Similarity NPC243196
0.8333 Intermediate Similarity NPC471354
0.8333 Intermediate Similarity NPC470061
0.8333 Intermediate Similarity NPC470062
0.8333 Intermediate Similarity NPC27507
0.8333 Intermediate Similarity NPC196429
0.8333 Intermediate Similarity NPC470064
0.8333 Intermediate Similarity NPC471353
0.8333 Intermediate Similarity NPC474418
0.8333 Intermediate Similarity NPC470058
0.8333 Intermediate Similarity NPC309034
0.8333 Intermediate Similarity NPC476361
0.8333 Intermediate Similarity NPC34390
0.8333 Intermediate Similarity NPC84987
0.8333 Intermediate Similarity NPC158344
0.8333 Intermediate Similarity NPC471351
0.8333 Intermediate Similarity NPC93883
0.8333 Intermediate Similarity NPC470043
0.8333 Intermediate Similarity NPC99728
0.8333 Intermediate Similarity NPC157376
0.8333 Intermediate Similarity NPC470885
0.8333 Intermediate Similarity NPC470057
0.8333 Intermediate Similarity NPC470059
0.8333 Intermediate Similarity NPC475521
0.8333 Intermediate Similarity NPC77319
0.8333 Intermediate Similarity NPC187400
0.8333 Intermediate Similarity NPC470060
0.8333 Intermediate Similarity NPC75608
0.8333 Intermediate Similarity NPC50305
0.8333 Intermediate Similarity NPC152615
0.8333 Intermediate Similarity NPC244402
0.8333 Intermediate Similarity NPC471355
0.8333 Intermediate Similarity NPC142066
0.8333 Intermediate Similarity NPC219516
0.8333 Intermediate Similarity NPC87250
0.8333 Intermediate Similarity NPC221562
0.8333 Intermediate Similarity NPC476360
0.8333 Intermediate Similarity NPC473852
0.8318 Intermediate Similarity NPC69576
0.8318 Intermediate Similarity NPC54395
0.8318 Intermediate Similarity NPC469821
0.8318 Intermediate Similarity NPC84949
0.8318 Intermediate Similarity NPC31354
0.8318 Intermediate Similarity NPC471633
0.8317 Intermediate Similarity NPC177701
0.8317 Intermediate Similarity NPC31085
0.8302 Intermediate Similarity NPC473125
0.83 Intermediate Similarity NPC471247
0.8298 Intermediate Similarity NPC140446
0.8298 Intermediate Similarity NPC43912
0.8286 Intermediate Similarity NPC106760
0.8286 Intermediate Similarity NPC472717
0.8283 Intermediate Similarity NPC210157

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC157739 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
0.8257 Intermediate Similarity NPD7328 Approved
0.8257 Intermediate Similarity NPD7327 Approved
0.8224 Intermediate Similarity NPD8133 Approved
0.8182 Intermediate Similarity NPD7516 Approved
0.8108 Intermediate Similarity NPD8294 Approved
0.8108 Intermediate Similarity NPD8377 Approved
0.8036 Intermediate Similarity NPD8380 Approved
0.8036 Intermediate Similarity NPD8379 Approved
0.8036 Intermediate Similarity NPD8296 Approved
0.8036 Intermediate Similarity NPD8033 Approved
0.8036 Intermediate Similarity NPD8335 Approved
0.8036 Intermediate Similarity NPD8378 Approved
0.7879 Intermediate Similarity NPD8171 Discontinued
0.7876 Intermediate Similarity NPD7503 Approved
0.783 Intermediate Similarity NPD6412 Phase 2
0.7759 Intermediate Similarity NPD7507 Approved
0.7593 Intermediate Similarity NPD6686 Approved
0.7563 Intermediate Similarity NPD7319 Approved
0.7523 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.7477 Intermediate Similarity NPD8170 Clinical (unspecified phase)
0.7368 Intermediate Similarity NPD6928 Phase 2
0.7333 Intermediate Similarity NPD7736 Approved
0.7288 Intermediate Similarity NPD8328 Phase 3
0.7255 Intermediate Similarity NPD8034 Phase 2
0.7255 Intermediate Similarity NPD8035 Phase 2
0.7217 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.7172 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.717 Intermediate Similarity NPD7638 Approved
0.7103 Intermediate Similarity NPD7639 Approved
0.7103 Intermediate Similarity NPD7640 Approved
0.7059 Intermediate Similarity NPD6370 Approved
0.7018 Intermediate Similarity NPD6882 Approved
0.701 Intermediate Similarity NPD7525 Registered
0.6983 Remote Similarity NPD6940 Discontinued
0.6967 Remote Similarity NPD8293 Discontinued
0.6964 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6942 Remote Similarity NPD7492 Approved
0.6923 Remote Similarity NPD6009 Approved
0.6891 Remote Similarity NPD6054 Approved
0.6891 Remote Similarity NPD6319 Approved
0.6885 Remote Similarity NPD6616 Approved
0.687 Remote Similarity NPD8297 Approved
0.6857 Remote Similarity NPD6399 Phase 3
0.6829 Remote Similarity NPD7078 Approved
0.681 Remote Similarity NPD4632 Approved
0.6804 Remote Similarity NPD6697 Approved
0.6804 Remote Similarity NPD6118 Approved
0.6804 Remote Similarity NPD6115 Approved
0.6804 Remote Similarity NPD6114 Approved
0.675 Remote Similarity NPD6059 Approved
0.6701 Remote Similarity NPD6116 Phase 1
0.6699 Remote Similarity NPD7524 Approved
0.6694 Remote Similarity NPD6016 Approved
0.6694 Remote Similarity NPD6015 Approved
0.6667 Remote Similarity NPD6881 Approved
0.6667 Remote Similarity NPD4267 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6899 Approved
0.6639 Remote Similarity NPD5988 Approved
0.6639 Remote Similarity NPD7115 Discovery
0.6638 Remote Similarity NPD6649 Approved
0.6638 Remote Similarity NPD6650 Approved
0.6637 Remote Similarity NPD6402 Approved
0.6637 Remote Similarity NPD5739 Approved
0.6637 Remote Similarity NPD7128 Approved
0.6637 Remote Similarity NPD6675 Approved
0.6634 Remote Similarity NPD3669 Approved
0.6634 Remote Similarity NPD3670 Clinical (unspecified phase)
0.6609 Remote Similarity NPD6372 Approved
0.6609 Remote Similarity NPD6373 Approved
0.6604 Remote Similarity NPD7637 Suspended
0.6598 Remote Similarity NPD6117 Approved
0.6585 Remote Similarity NPD6067 Discontinued
0.6579 Remote Similarity NPD5697 Approved
0.6569 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6566 Remote Similarity NPD7645 Phase 2
0.6562 Remote Similarity NPD8449 Approved
0.6562 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6557 Remote Similarity NPD8517 Approved
0.6557 Remote Similarity NPD8513 Phase 3
0.6557 Remote Similarity NPD8515 Approved
0.6557 Remote Similarity NPD8516 Approved
0.6552 Remote Similarity NPD7102 Approved
0.6552 Remote Similarity NPD7290 Approved
0.6552 Remote Similarity NPD6883 Approved
0.6544 Remote Similarity NPD7625 Phase 1
0.6522 Remote Similarity NPD7320 Approved
0.6518 Remote Similarity NPD7632 Discontinued
0.6512 Remote Similarity NPD8450 Suspended
0.6496 Remote Similarity NPD8130 Phase 1
0.6496 Remote Similarity NPD6617 Approved
0.6496 Remote Similarity NPD6847 Approved
0.6496 Remote Similarity NPD6869 Approved
0.6495 Remote Similarity NPD6942 Approved
0.6495 Remote Similarity NPD7339 Approved
0.6481 Remote Similarity NPD7748 Approved
0.6471 Remote Similarity NPD6695 Phase 3
0.6466 Remote Similarity NPD6014 Approved
0.6466 Remote Similarity NPD6013 Approved
0.6466 Remote Similarity NPD6012 Approved
0.6455 Remote Similarity NPD6084 Phase 2
0.6455 Remote Similarity NPD6083 Phase 2
0.6455 Remote Similarity NPD7902 Approved
0.6452 Remote Similarity NPD7604 Phase 2
0.6449 Remote Similarity NPD7515 Phase 2
0.6435 Remote Similarity NPD5701 Approved
0.6423 Remote Similarity NPD5983 Phase 2
0.6423 Remote Similarity NPD6921 Approved
0.6422 Remote Similarity NPD7991 Discontinued
0.6421 Remote Similarity NPD7532 Clinical (unspecified phase)
0.6408 Remote Similarity NPD4786 Approved
0.6396 Remote Similarity NPD4225 Approved
0.6392 Remote Similarity NPD1810 Approved
0.6392 Remote Similarity NPD1811 Approved
0.6379 Remote Similarity NPD6011 Approved
0.6356 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6349 Remote Similarity NPD6336 Discontinued
0.6325 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6321 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6296 Remote Similarity NPD6079 Approved
0.6283 Remote Similarity NPD5344 Discontinued
0.6271 Remote Similarity NPD4634 Approved
0.6263 Remote Similarity NPD6933 Approved
0.6263 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6262 Remote Similarity NPD5328 Approved
0.6262 Remote Similarity NPD6051 Approved
0.625 Remote Similarity NPD6033 Approved
0.6239 Remote Similarity NPD8174 Phase 2
0.6238 Remote Similarity NPD6929 Approved
0.6226 Remote Similarity NPD7750 Discontinued
0.6218 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6214 Remote Similarity NPD3667 Approved
0.6207 Remote Similarity NPD6008 Approved
0.62 Remote Similarity NPD6932 Approved
0.6195 Remote Similarity NPD5286 Approved
0.6195 Remote Similarity NPD5285 Approved
0.6195 Remote Similarity NPD4696 Approved
0.6186 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6186 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6182 Remote Similarity NPD7900 Approved
0.6182 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6176 Remote Similarity NPD6930 Phase 2
0.6176 Remote Similarity NPD6931 Approved
0.6168 Remote Similarity NPD6672 Approved
0.6168 Remote Similarity NPD5737 Approved
0.6161 Remote Similarity NPD4755 Approved
0.6154 Remote Similarity NPD4788 Approved
0.6147 Remote Similarity NPD6411 Approved
0.6139 Remote Similarity NPD7145 Approved
0.6134 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6132 Remote Similarity NPD6684 Approved
0.6132 Remote Similarity NPD7521 Approved
0.6132 Remote Similarity NPD5330 Approved
0.6132 Remote Similarity NPD7334 Approved
0.6132 Remote Similarity NPD6409 Approved
0.6132 Remote Similarity NPD7146 Approved
0.6132 Remote Similarity NPD3618 Phase 1
0.6129 Remote Similarity NPD7100 Approved
0.6129 Remote Similarity NPD7101 Approved
0.6126 Remote Similarity NPD5695 Phase 3
0.6106 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6106 Remote Similarity NPD5696 Approved
0.6091 Remote Similarity NPD4202 Approved
0.6087 Remote Similarity NPD5211 Phase 2
0.6087 Remote Similarity NPD5225 Approved
0.6087 Remote Similarity NPD5224 Approved
0.6087 Remote Similarity NPD4633 Approved
0.6087 Remote Similarity NPD5226 Approved
0.6082 Remote Similarity NPD2687 Approved
0.6082 Remote Similarity NPD2254 Approved
0.6082 Remote Similarity NPD2686 Approved
0.6075 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6071 Remote Similarity NPD5221 Approved
0.6071 Remote Similarity NPD5222 Approved
0.6071 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6061 Remote Similarity NPD6926 Approved
0.6061 Remote Similarity NPD6924 Approved
0.6055 Remote Similarity NPD7838 Discovery
0.6055 Remote Similarity NPD6698 Approved
0.6055 Remote Similarity NPD46 Approved
0.6053 Remote Similarity NPD4700 Approved
0.6048 Remote Similarity NPD6335 Approved
0.604 Remote Similarity NPD6925 Approved
0.604 Remote Similarity NPD5776 Phase 2
0.6034 Remote Similarity NPD5175 Approved
0.6034 Remote Similarity NPD5174 Approved
0.6031 Remote Similarity NPD5956 Approved
0.602 Remote Similarity NPD7150 Approved
0.602 Remote Similarity NPD7152 Approved
0.602 Remote Similarity NPD7151 Approved
0.6019 Remote Similarity NPD6903 Approved
0.6019 Remote Similarity NPD7514 Phase 3
0.6018 Remote Similarity NPD5173 Approved
0.6016 Remote Similarity NPD6868 Approved
0.6016 Remote Similarity NPD6274 Approved
0.6 Remote Similarity NPD7087 Discontinued
0.6 Remote Similarity NPD5223 Approved
0.6 Remote Similarity NPD3702 Approved
0.6 Remote Similarity NPD3703 Phase 2
0.5983 Remote Similarity NPD5141 Approved
0.5979 Remote Similarity NPD3700 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   11620917
ChEMBL   CHEMBL500466
ZINC  

Physicochemical Properties

Molecular Weight:  548.33
ALogP:  -0.1829
MLogP:  3.99
XLogP:  7.002
# Rotatable Bonds:  14
Polar Surface Area:  111.52
# H-Bond Aceptor:  8
# H-Bond Donor:  2
# Rings:  5
# Heavy Atoms:  39

Download Data

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