Natural Product: NPC137253

Natural Product ID:  NPC137253
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C26H38O8
Standard InCHIKey:  AAMUOSUEGYBPIJ-GJRXFZLUSA-N
Standard InCHI:  InChI=1S/C26H38O8/c1-14-8-9-20-24(5,34-20)12-19(31-15(2)27)23-18(25(6)13-30-25)11-22(33-17(4)29)26(23,7)21(10-14)32-16(3)28/h10,18-23H,8-9,11-13H2,1-7H3/b14-10+/t18-,19+,20+,21-,22+,23-,24+,25+,26+/m1/s1
Canonical SMILES:  CC(=O)O[C@H]1C[C@]2(C)O[C@H]2CC/C(=C/[C@H]([C@@]2([C@@H]1[C@@H](C[C@@H]2OC(=O)C)[C@@]1(C)OC1)C)OC(=O)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
NPO11601 Chandonanthus hirtellus Species Anastrophyllaceae Eukaryota China PMID[24491225]
NPO32786 chandonanthus birmensis Species Anastrophyllaceae Eukaryota China PMID[24491225]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2452 Cell Line NCI-H292 IC50 > 50000 nM 26356746
NPT2 Others Unspecified IC50 > 50000 nM 20163894
NPT2 Others Unspecified IC50 > 50000 nM 15104488
NPT90 Cell Line DU-145 Homo sapiens IC50 > 50000 nM 17896816
NPT81 Cell Line A549 Homo sapiens IC50 > 50000 nM 15646539
NPT306 Cell Line PC-3 Homo sapiens IC50 > 50000 nM 18183025
NPT2410 Cell Line NCI-H1299 Homo sapiens IC50 > 50000 nM 18694945

  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 NPC137253 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
0.8875 High Similarity NPC186109
0.8352 Intermediate Similarity NPC281775
0.8182 Intermediate Similarity NPC474045
0.8182 Intermediate Similarity NPC261253
0.8118 Intermediate Similarity NPC474739
0.8118 Intermediate Similarity NPC472470
0.8095 Intermediate Similarity NPC474005
0.8025 Intermediate Similarity NPC477084
0.8 Intermediate Similarity NPC269841
0.8 Intermediate Similarity NPC22301
0.7979 Intermediate Similarity NPC113433
0.7938 Intermediate Similarity NPC200672
0.7938 Intermediate Similarity NPC214714
0.7935 Intermediate Similarity NPC221282
0.7917 Intermediate Similarity NPC13743
0.7917 Intermediate Similarity NPC98813
0.7895 Intermediate Similarity NPC476057
0.7895 Intermediate Similarity NPC347923
0.7872 Intermediate Similarity NPC240838
0.7835 Intermediate Similarity NPC26557
0.7812 Intermediate Similarity NPC79449
0.7812 Intermediate Similarity NPC474957
0.7812 Intermediate Similarity NPC470188
0.7812 Intermediate Similarity NPC274458
0.7778 Intermediate Similarity NPC469676
0.7778 Intermediate Similarity NPC477668
0.7766 Intermediate Similarity NPC472467
0.7766 Intermediate Similarity NPC140277
0.7765 Intermediate Similarity NPC476439
0.7755 Intermediate Similarity NPC252242
0.7755 Intermediate Similarity NPC470972
0.7755 Intermediate Similarity NPC475956
0.7708 Intermediate Similarity NPC182811
0.7677 Intermediate Similarity NPC474783
0.7677 Intermediate Similarity NPC232515
0.7677 Intermediate Similarity NPC260809
0.767 Intermediate Similarity NPC475495
0.7647 Intermediate Similarity NPC301525
0.7647 Intermediate Similarity NPC476317
0.764 Intermediate Similarity NPC472473
0.764 Intermediate Similarity NPC231601
0.764 Intermediate Similarity NPC475842
0.7624 Intermediate Similarity NPC471601
0.7619 Intermediate Similarity NPC477204
0.7614 Intermediate Similarity NPC472471
0.7614 Intermediate Similarity NPC471661
0.7609 Intermediate Similarity NPC470612
0.7609 Intermediate Similarity NPC470613
0.7604 Intermediate Similarity NPC194132
0.7604 Intermediate Similarity NPC475380
0.7604 Intermediate Similarity NPC209297
0.7596 Intermediate Similarity NPC475277
0.7596 Intermediate Similarity NPC473522
0.7596 Intermediate Similarity NPC477093
0.7586 Intermediate Similarity NPC325869
0.7579 Intermediate Similarity NPC161998
0.7576 Intermediate Similarity NPC78127
0.7576 Intermediate Similarity NPC471757
0.7576 Intermediate Similarity NPC49393
0.7576 Intermediate Similarity NPC105725
0.7576 Intermediate Similarity NPC475986
0.7558 Intermediate Similarity NPC84360
0.7556 Intermediate Similarity NPC154893
0.7556 Intermediate Similarity NPC16887
0.7556 Intermediate Similarity NPC53011
0.7556 Intermediate Similarity NPC37005
0.7553 Intermediate Similarity NPC66504
0.7553 Intermediate Similarity NPC249034
0.7553 Intermediate Similarity NPC290651
0.7553 Intermediate Similarity NPC472468
0.7551 Intermediate Similarity NPC79631
0.7529 Intermediate Similarity NPC113639
0.7529 Intermediate Similarity NPC93213
0.7526 Intermediate Similarity NPC100912
0.7526 Intermediate Similarity NPC475446
0.7526 Intermediate Similarity NPC311241
0.7525 Intermediate Similarity NPC470980
0.7525 Intermediate Similarity NPC265502
0.7525 Intermediate Similarity NPC469960
0.7525 Intermediate Similarity NPC29389
0.7525 Intermediate Similarity NPC93026
0.75 Intermediate Similarity NPC471657
0.75 Intermediate Similarity NPC45957
0.75 Intermediate Similarity NPC67584
0.75 Intermediate Similarity NPC469802
0.7474 Intermediate Similarity NPC470187
0.7473 Intermediate Similarity NPC474547
0.7471 Intermediate Similarity NPC23187
0.7451 Intermediate Similarity NPC469959
0.7451 Intermediate Similarity NPC108682
0.7451 Intermediate Similarity NPC469957
0.7451 Intermediate Similarity NPC472263
0.7449 Intermediate Similarity NPC221615
0.7449 Intermediate Similarity NPC72647
0.7449 Intermediate Similarity NPC107806
0.7447 Intermediate Similarity NPC472466
0.7447 Intermediate Similarity NPC209816
0.7447 Intermediate Similarity NPC475748
0.7444 Intermediate Similarity NPC477667
0.7429 Intermediate Similarity NPC241477
0.7426 Intermediate Similarity NPC475585
0.7426 Intermediate Similarity NPC474550
0.7426 Intermediate Similarity NPC473577
0.7423 Intermediate Similarity NPC213078
0.7419 Intermediate Similarity NPC224652
0.7419 Intermediate Similarity NPC93411
0.7404 Intermediate Similarity NPC15551
0.7391 Intermediate Similarity NPC286153
0.7391 Intermediate Similarity NPC471480
0.7391 Intermediate Similarity NPC102996
0.7391 Intermediate Similarity NPC204048
0.7391 Intermediate Similarity NPC50637
0.7375 Intermediate Similarity NPC140233
0.7375 Intermediate Similarity NPC287744
0.7374 Intermediate Similarity NPC130792
0.7368 Intermediate Similarity NPC234335
0.7363 Intermediate Similarity NPC78673
0.7363 Intermediate Similarity NPC186155
0.7363 Intermediate Similarity NPC160517
0.7356 Intermediate Similarity NPC477203
0.7356 Intermediate Similarity NPC471454
0.7353 Intermediate Similarity NPC119855
0.7353 Intermediate Similarity NPC475290
0.7353 Intermediate Similarity NPC220217
0.7347 Intermediate Similarity NPC477949
0.7347 Intermediate Similarity NPC161493
0.734 Intermediate Similarity NPC472872
0.734 Intermediate Similarity NPC283409
0.734 Intermediate Similarity NPC4986
0.7333 Intermediate Similarity NPC71680
0.7327 Intermediate Similarity NPC189588
0.7327 Intermediate Similarity NPC10232
0.7327 Intermediate Similarity NPC97487
0.7327 Intermediate Similarity NPC196471
0.7327 Intermediate Similarity NPC160583
0.7327 Intermediate Similarity NPC187302
0.7327 Intermediate Similarity NPC473523
0.732 Intermediate Similarity NPC291709
0.732 Intermediate Similarity NPC241407
0.732 Intermediate Similarity NPC52044
0.732 Intermediate Similarity NPC220221
0.7315 Intermediate Similarity NPC475305
0.7312 Intermediate Similarity NPC102640
0.7312 Intermediate Similarity NPC475087
0.7303 Intermediate Similarity NPC80622
0.73 Intermediate Similarity NPC295110
0.73 Intermediate Similarity NPC298233
0.73 Intermediate Similarity NPC471767
0.73 Intermediate Similarity NPC222875
0.73 Intermediate Similarity NPC247701
0.73 Intermediate Similarity NPC25177
0.73 Intermediate Similarity NPC268829
0.7292 Intermediate Similarity NPC473678
0.729 Intermediate Similarity NPC216665
0.729 Intermediate Similarity NPC43213
0.7282 Intermediate Similarity NPC470192
0.7282 Intermediate Similarity NPC475781
0.7273 Intermediate Similarity NPC90819
0.7273 Intermediate Similarity NPC124181
0.7264 Intermediate Similarity NPC98038
0.7264 Intermediate Similarity NPC313921
0.7255 Intermediate Similarity NPC169843
0.7255 Intermediate Similarity NPC473543
0.7253 Intermediate Similarity NPC475989
0.7253 Intermediate Similarity NPC108045
0.7253 Intermediate Similarity NPC475622
0.7248 Intermediate Similarity NPC475401
0.7245 Intermediate Similarity NPC477354
0.7241 Intermediate Similarity NPC469880
0.7241 Intermediate Similarity NPC477202
0.7234 Intermediate Similarity NPC233997
0.7234 Intermediate Similarity NPC69713
0.7234 Intermediate Similarity NPC471149
0.7228 Intermediate Similarity NPC109195
0.7228 Intermediate Similarity NPC476471
0.7228 Intermediate Similarity NPC475344
0.7228 Intermediate Similarity NPC475038
0.7228 Intermediate Similarity NPC250594
0.7222 Intermediate Similarity NPC470793
0.7222 Intermediate Similarity NPC474894
0.7222 Intermediate Similarity NPC141810
0.7216 Intermediate Similarity NPC127019
0.7204 Intermediate Similarity NPC61527
0.72 Intermediate Similarity NPC280963
0.7196 Intermediate Similarity NPC171126
0.7196 Intermediate Similarity NPC101400
0.7196 Intermediate Similarity NPC101965
0.7191 Intermediate Similarity NPC55304
0.7191 Intermediate Similarity NPC226226
0.7184 Intermediate Similarity NPC470979
0.7184 Intermediate Similarity NPC179891
0.7184 Intermediate Similarity NPC470975
0.7184 Intermediate Similarity NPC103088
0.7182 Intermediate Similarity NPC477092
0.7172 Intermediate Similarity NPC47834
0.7172 Intermediate Similarity NPC86843
0.7172 Intermediate Similarity NPC153559
0.7172 Intermediate Similarity NPC471140
0.7158 Intermediate Similarity NPC166919
0.7158 Intermediate Similarity NPC475971

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC137253 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
0.7527 Intermediate Similarity NPD6051 Approved
0.734 Intermediate Similarity NPD1695 Approved
0.7283 Intermediate Similarity NPD6082 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD7838 Discovery
0.7073 Intermediate Similarity NPD2685 Clinical (unspecified phase)
0.703 Intermediate Similarity NPD6648 Approved
0.6961 Remote Similarity NPD5344 Discontinued
0.6947 Remote Similarity NPD4251 Approved
0.6947 Remote Similarity NPD4250 Approved
0.6931 Remote Similarity NPD7638 Approved
0.6923 Remote Similarity NPD4820 Approved
0.6923 Remote Similarity NPD4821 Approved
0.6923 Remote Similarity NPD4819 Approved
0.6923 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6923 Remote Similarity NPD4822 Approved
0.6916 Remote Similarity NPD6371 Approved
0.6907 Remote Similarity NPD6698 Approved
0.6907 Remote Similarity NPD46 Approved
0.6863 Remote Similarity NPD7639 Approved
0.6863 Remote Similarity NPD7640 Approved
0.6842 Remote Similarity NPD4249 Approved
0.6809 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6792 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6786 Remote Similarity NPD7328 Approved
0.6786 Remote Similarity NPD7327 Approved
0.6726 Remote Similarity NPD7516 Approved
0.6703 Remote Similarity NPD4268 Approved
0.6703 Remote Similarity NPD4271 Approved
0.6702 Remote Similarity NPD6695 Phase 3
0.6702 Remote Similarity NPD5362 Discontinued
0.6698 Remote Similarity NPD6008 Approved
0.6667 Remote Similarity NPD7637 Suspended
0.6667 Remote Similarity NPD8377 Approved
0.6667 Remote Similarity NPD8294 Approved
0.6636 Remote Similarity NPD6053 Discontinued
0.6636 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6609 Remote Similarity NPD8379 Approved
0.6609 Remote Similarity NPD8033 Approved
0.6609 Remote Similarity NPD8378 Approved
0.6609 Remote Similarity NPD7503 Approved
0.6609 Remote Similarity NPD8296 Approved
0.6609 Remote Similarity NPD8380 Approved
0.6609 Remote Similarity NPD8335 Approved
0.6596 Remote Similarity NPD6435 Approved
0.6596 Remote Similarity NPD5209 Approved
0.6566 Remote Similarity NPD5785 Approved
0.6562 Remote Similarity NPD1733 Clinical (unspecified phase)
0.6526 Remote Similarity NPD5332 Approved
0.6526 Remote Similarity NPD5331 Approved
0.6522 Remote Similarity NPD5784 Clinical (unspecified phase)
0.65 Remote Similarity NPD5693 Phase 1
0.6495 Remote Similarity NPD7521 Approved
0.6495 Remote Similarity NPD7334 Approved
0.6495 Remote Similarity NPD5330 Approved
0.6495 Remote Similarity NPD7146 Approved
0.6495 Remote Similarity NPD6684 Approved
0.6495 Remote Similarity NPD6409 Approved
0.6489 Remote Similarity NPD4790 Discontinued
0.6455 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6429 Remote Similarity NPD7524 Approved
0.6429 Remote Similarity NPD7750 Discontinued
0.6422 Remote Similarity NPD6686 Approved
0.6421 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6387 Remote Similarity NPD7507 Approved
0.6383 Remote Similarity NPD5368 Approved
0.6383 Remote Similarity NPD6930 Phase 2
0.6383 Remote Similarity NPD6931 Approved
0.6364 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6364 Remote Similarity NPD6903 Approved
0.6364 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6354 Remote Similarity NPD7154 Phase 3
0.6346 Remote Similarity NPD6083 Phase 2
0.6346 Remote Similarity NPD6084 Phase 2
0.6327 Remote Similarity NPD6098 Approved
0.6316 Remote Similarity NPD5369 Approved
0.6311 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6311 Remote Similarity NPD5695 Phase 3
0.63 Remote Similarity NPD6080 Approved
0.63 Remote Similarity NPD6673 Approved
0.63 Remote Similarity NPD6904 Approved
0.6277 Remote Similarity NPD6929 Approved
0.6275 Remote Similarity NPD6399 Phase 3
0.6262 Remote Similarity NPD7632 Discontinued
0.625 Remote Similarity NPD4269 Approved
0.625 Remote Similarity NPD4270 Approved
0.6239 Remote Similarity NPD6675 Approved
0.6239 Remote Similarity NPD6402 Approved
0.6239 Remote Similarity NPD5739 Approved
0.6239 Remote Similarity NPD7128 Approved
0.623 Remote Similarity NPD7319 Approved
0.6216 Remote Similarity NPD6372 Approved
0.6216 Remote Similarity NPD6373 Approved
0.6211 Remote Similarity NPD7514 Phase 3
0.62 Remote Similarity NPD5737 Approved
0.62 Remote Similarity NPD6672 Approved
0.6196 Remote Similarity NPD8039 Approved
0.6176 Remote Similarity NPD7087 Discontinued
0.6176 Remote Similarity NPD7983 Approved
0.6176 Remote Similarity NPD6050 Approved
0.6163 Remote Similarity NPD5325 Clinical (unspecified phase)
0.6162 Remote Similarity NPD5786 Approved
0.6146 Remote Similarity NPD6902 Approved
0.6132 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6132 Remote Similarity NPD5696 Approved
0.6126 Remote Similarity NPD7320 Approved
0.6126 Remote Similarity NPD6899 Approved
0.6126 Remote Similarity NPD6881 Approved
0.6122 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6121 Remote Similarity NPD7115 Discovery
0.6106 Remote Similarity NPD6649 Approved
0.6106 Remote Similarity NPD6650 Approved
0.61 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6087 Remote Similarity NPD6926 Approved
0.6087 Remote Similarity NPD6924 Approved
0.6078 Remote Similarity NPD5692 Phase 3
0.6078 Remote Similarity NPD3168 Discontinued
0.6064 Remote Similarity NPD5776 Phase 2
0.6064 Remote Similarity NPD6932 Approved
0.6064 Remote Similarity NPD6925 Approved
0.6061 Remote Similarity NPD6893 Approved
0.6061 Remote Similarity NPD5363 Approved
0.6061 Remote Similarity NPD1694 Approved
0.6058 Remote Similarity NPD6001 Approved
0.6053 Remote Similarity NPD6882 Approved
0.6053 Remote Similarity NPD8297 Approved
0.6042 Remote Similarity NPD7525 Registered
0.6042 Remote Similarity NPD7332 Phase 2
0.6042 Remote Similarity NPD4252 Approved
0.604 Remote Similarity NPD5208 Approved
0.6036 Remote Similarity NPD6412 Phase 2
0.6036 Remote Similarity NPD5701 Approved
0.6036 Remote Similarity NPD5697 Approved
0.6019 Remote Similarity NPD5694 Approved
0.6018 Remote Similarity NPD7102 Approved
0.6018 Remote Similarity NPD7290 Approved
0.6018 Remote Similarity NPD6883 Approved
0.6 Remote Similarity NPD7145 Approved
0.6 Remote Similarity NPD8133 Approved
0.6 Remote Similarity NPD1698 Clinical (unspecified phase)
0.5981 Remote Similarity NPD4225 Approved
0.5966 Remote Similarity NPD6319 Approved
0.5965 Remote Similarity NPD6617 Approved
0.5965 Remote Similarity NPD6869 Approved
0.5965 Remote Similarity NPD6847 Approved
0.5965 Remote Similarity NPD8130 Phase 1
0.5965 Remote Similarity NPD8413 Clinical (unspecified phase)
0.5962 Remote Similarity NPD5779 Approved
0.5962 Remote Similarity NPD5778 Approved
0.5957 Remote Similarity NPD6933 Approved
0.5943 Remote Similarity NPD4792 Clinical (unspecified phase)
0.5938 Remote Similarity NPD6683 Phase 2
0.5929 Remote Similarity NPD6013 Approved
0.5929 Remote Similarity NPD6012 Approved
0.5929 Remote Similarity NPD6014 Approved
0.5922 Remote Similarity NPD5207 Approved
0.5905 Remote Similarity NPD5282 Discontinued
0.5893 Remote Similarity NPD6685 Approved
0.587 Remote Similarity NPD4243 Approved
0.5865 Remote Similarity NPD5284 Approved
0.5865 Remote Similarity NPD5281 Approved
0.5862 Remote Similarity NPD4632 Approved
0.5841 Remote Similarity NPD6011 Approved
0.5826 Remote Similarity NPD6401 Clinical (unspecified phase)
0.5825 Remote Similarity NPD4753 Phase 2
0.582 Remote Similarity NPD7604 Phase 2
0.5818 Remote Similarity NPD3653 Clinical (unspecified phase)
0.5816 Remote Similarity NPD6898 Phase 1
0.5789 Remote Similarity NPD3701 Clinical (unspecified phase)
0.5773 Remote Similarity NPD4195 Approved
0.5772 Remote Similarity NPD7492 Approved
0.5755 Remote Similarity NPD5707 Approved
0.5745 Remote Similarity NPD4785 Approved
0.5745 Remote Similarity NPD4784 Approved
0.5741 Remote Similarity NPD4755 Approved
0.5741 Remote Similarity NPD5959 Approved
0.5726 Remote Similarity NPD6616 Approved
0.5714 Remote Similarity NPD6009 Approved
0.5714 Remote Similarity NPD6411 Approved
0.5714 Remote Similarity NPD8034 Phase 2
0.5714 Remote Similarity NPD8035 Phase 2
0.5714 Remote Similarity NPD7509 Discontinued
0.5702 Remote Similarity NPD6059 Approved
0.5702 Remote Similarity NPD6054 Approved
0.5701 Remote Similarity NPD5654 Approved
0.5684 Remote Similarity NPD6942 Approved
0.5684 Remote Similarity NPD7339 Approved
0.568 Remote Similarity NPD8293 Discontinued
0.568 Remote Similarity NPD7078 Approved
0.5676 Remote Similarity NPD5211 Phase 2
0.567 Remote Similarity NPD7322 Clinical (unspecified phase)
0.566 Remote Similarity NPD4202 Approved
0.5656 Remote Similarity NPD5983 Phase 2
0.5652 Remote Similarity NPD6922 Approved
0.5652 Remote Similarity NPD6923 Approved
0.5648 Remote Similarity NPD7839 Suspended
0.5644 Remote Similarity NPD3666 Approved
0.5644 Remote Similarity NPD3133 Approved
0.5644 Remote Similarity NPD4786 Approved
0.5644 Remote Similarity NPD3665 Phase 1
0.5644 Remote Similarity NPD5766 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   76324846
ChEMBL   CHEMBL3109422
ZINC  

Physicochemical Properties

Molecular Weight:  478.26
ALogP:  0.699
MLogP:  3.44
XLogP:  3.19
# Rotatable Bonds:  14
Polar Surface Area:  103.96
# H-Bond Aceptor:  8
# H-Bond Donor:  0
# Rings:  4
# Heavy Atoms:  34

Download Data

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Structure MOL file  
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Biological Activities  
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