Natural Product: NPC62572

Natural Product ID:  NPC62572
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C30H46O4
Standard InCHIKey:  SCCTYGDZBVYNDP-QYEHROKOSA-N
Standard InCHI:  InChI=1S/C30H46O4/c1-25(2)12-14-30-15-13-29(7)21(22(30)23(25)34-24(30)33)17(31)16-19-27(5)10-9-20(32)26(3,4)18(27)8-11-28(19,29)6/h18-23,32H,8-16H2,1-7H3/t18-,19+,20-,21-,22+,23+,27-,28+,29+,30-/m0/s1
Canonical SMILES:  O=C1C[C@@H]2[C@@]3(C)CC[C@@H](C([C@@H]3CC[C@]2([C@]2([C@@H]1[C@@H]1[C@H]3OC(=O)[C@]1(CC2)CCC3(C)C)C)C)(C)C)O
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
NPO12830 Styrax tonkinensis Species Styracaceae Eukaryota resin PMID[16724846]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT116 Cell Line HL-60 Homo sapiens Activity < 10 % 18183025
NPT116 Cell Line HL-60 Homo sapiens IG50 = 51.2 nM 20655237

  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 NPC62572 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
0.925 High Similarity NPC280781
0.925 High Similarity NPC48756
0.9186 High Similarity NPC472148
0.9186 High Similarity NPC472147
0.8902 High Similarity NPC61107
0.8902 High Similarity NPC289486
0.8902 High Similarity NPC30583
0.8875 High Similarity NPC31031
0.8875 High Similarity NPC472608
0.8875 High Similarity NPC243594
0.878 High Similarity NPC271572
0.878 High Similarity NPC474870
0.878 High Similarity NPC50658
0.8765 High Similarity NPC73013
0.8736 High Similarity NPC472146
0.8736 High Similarity NPC185529
0.869 High Similarity NPC473299
0.869 High Similarity NPC25037
0.869 High Similarity NPC105895
0.869 High Similarity NPC34984
0.8642 High Similarity NPC26029
0.8625 High Similarity NPC108840
0.8621 High Similarity NPC471459
0.8621 High Similarity NPC67653
0.8608 High Similarity NPC159325
0.8608 High Similarity NPC168511
0.8554 High Similarity NPC476071
0.8488 Intermediate Similarity NPC120395
0.8488 Intermediate Similarity NPC248216
0.8481 Intermediate Similarity NPC282905
0.8481 Intermediate Similarity NPC477229
0.8481 Intermediate Similarity NPC68426
0.8471 Intermediate Similarity NPC237938
0.8471 Intermediate Similarity NPC219535
0.8462 Intermediate Similarity NPC163685
0.8434 Intermediate Similarity NPC261616
0.8352 Intermediate Similarity NPC82633
0.8333 Intermediate Similarity NPC58631
0.8315 Intermediate Similarity NPC50443
0.8315 Intermediate Similarity NPC18536
0.8313 Intermediate Similarity NPC320144
0.8295 Intermediate Similarity NPC131104
0.8295 Intermediate Similarity NPC473319
0.8295 Intermediate Similarity NPC236459
0.8295 Intermediate Similarity NPC3032
0.8293 Intermediate Similarity NPC298168
0.8293 Intermediate Similarity NPC143133
0.8276 Intermediate Similarity NPC83242
0.8272 Intermediate Similarity NPC267753
0.8272 Intermediate Similarity NPC179858
0.8261 Intermediate Similarity NPC235109
0.825 Intermediate Similarity NPC475230
0.8242 Intermediate Similarity NPC247877
0.8242 Intermediate Similarity NPC309127
0.8193 Intermediate Similarity NPC185465
0.8172 Intermediate Similarity NPC472145
0.8171 Intermediate Similarity NPC475742
0.8171 Intermediate Similarity NPC471046
0.8171 Intermediate Similarity NPC5767
0.8171 Intermediate Similarity NPC4209
0.8148 Intermediate Similarity NPC130011
0.8125 Intermediate Similarity NPC290058
0.8111 Intermediate Similarity NPC475211
0.8111 Intermediate Similarity NPC88337
0.8095 Intermediate Similarity NPC80891
0.8095 Intermediate Similarity NPC201276
0.8095 Intermediate Similarity NPC472310
0.8085 Intermediate Similarity NPC472144
0.8072 Intermediate Similarity NPC307865
0.8072 Intermediate Similarity NPC207010
0.8072 Intermediate Similarity NPC112463
0.8072 Intermediate Similarity NPC23884
0.8072 Intermediate Similarity NPC317913
0.8072 Intermediate Similarity NPC221420
0.8049 Intermediate Similarity NPC97534
0.8049 Intermediate Similarity NPC212733
0.8049 Intermediate Similarity NPC472311
0.8049 Intermediate Similarity NPC174964
0.8049 Intermediate Similarity NPC195155
0.8046 Intermediate Similarity NPC471044
0.8046 Intermediate Similarity NPC473336
0.8046 Intermediate Similarity NPC477434
0.7978 Intermediate Similarity NPC470920
0.7976 Intermediate Similarity NPC171426
0.7976 Intermediate Similarity NPC324700
0.7976 Intermediate Similarity NPC80089
0.7976 Intermediate Similarity NPC34046
0.7976 Intermediate Similarity NPC224802
0.7975 Intermediate Similarity NPC2568
0.7975 Intermediate Similarity NPC469724
0.7975 Intermediate Similarity NPC103647
0.7975 Intermediate Similarity NPC180777
0.7975 Intermediate Similarity NPC31187
0.7975 Intermediate Similarity NPC260319
0.7975 Intermediate Similarity NPC281203
0.7975 Intermediate Similarity NPC100917
0.7955 Intermediate Similarity NPC477445
0.7952 Intermediate Similarity NPC472487
0.7952 Intermediate Similarity NPC472486
0.7935 Intermediate Similarity NPC474436
0.7935 Intermediate Similarity NPC63118
0.7935 Intermediate Similarity NPC49776
0.7927 Intermediate Similarity NPC133922
0.7927 Intermediate Similarity NPC280026
0.7927 Intermediate Similarity NPC167702
0.7901 Intermediate Similarity NPC89310
0.7889 Intermediate Similarity NPC474719
0.7872 Intermediate Similarity NPC223169
0.7865 Intermediate Similarity NPC187545
0.7849 Intermediate Similarity NPC303863
0.7841 Intermediate Similarity NPC181871
0.7841 Intermediate Similarity NPC474996
0.7841 Intermediate Similarity NPC9060
0.7841 Intermediate Similarity NPC319909
0.7831 Intermediate Similarity NPC125767
0.7831 Intermediate Similarity NPC21220
0.7826 Intermediate Similarity NPC475878
0.7805 Intermediate Similarity NPC109510
0.7805 Intermediate Similarity NPC81759
0.7805 Intermediate Similarity NPC232112
0.78 Intermediate Similarity NPC316930
0.7789 Intermediate Similarity NPC470632
0.7778 Intermediate Similarity NPC33768
0.7778 Intermediate Similarity NPC252714
0.7753 Intermediate Similarity NPC474572
0.775 Intermediate Similarity NPC470956
0.7742 Intermediate Similarity NPC224060
0.7742 Intermediate Similarity NPC294263
0.7742 Intermediate Similarity NPC476189
0.7742 Intermediate Similarity NPC244356
0.7727 Intermediate Similarity NPC15091
0.7727 Intermediate Similarity NPC269684
0.7723 Intermediate Similarity NPC320475
0.7723 Intermediate Similarity NPC321661
0.7717 Intermediate Similarity NPC291028
0.7717 Intermediate Similarity NPC470114
0.7717 Intermediate Similarity NPC77756
0.7711 Intermediate Similarity NPC55508
0.7711 Intermediate Similarity NPC74639
0.7708 Intermediate Similarity NPC474724
0.7708 Intermediate Similarity NPC164349
0.7701 Intermediate Similarity NPC475743
0.7701 Intermediate Similarity NPC12933
0.7692 Intermediate Similarity NPC4309
0.7692 Intermediate Similarity NPC90676
0.7683 Intermediate Similarity NPC469940
0.7683 Intermediate Similarity NPC58057
0.7683 Intermediate Similarity NPC156277
0.7683 Intermediate Similarity NPC320549
0.7683 Intermediate Similarity NPC247195
0.7683 Intermediate Similarity NPC151018
0.7683 Intermediate Similarity NPC472309
0.7677 Intermediate Similarity NPC327093
0.7674 Intermediate Similarity NPC220379
0.7667 Intermediate Similarity NPC12774
0.7667 Intermediate Similarity NPC2783
0.7667 Intermediate Similarity NPC92139
0.7667 Intermediate Similarity NPC80700
0.7654 Intermediate Similarity NPC131892
0.7654 Intermediate Similarity NPC213178
0.7654 Intermediate Similarity NPC295788
0.7654 Intermediate Similarity NPC327728
0.7654 Intermediate Similarity NPC178541
0.7654 Intermediate Similarity NPC6120
0.7647 Intermediate Similarity NPC477918
0.7634 Intermediate Similarity NPC105189
0.7634 Intermediate Similarity NPC52756
0.7634 Intermediate Similarity NPC160506
0.7629 Intermediate Similarity NPC80417
0.7625 Intermediate Similarity NPC472984
0.7625 Intermediate Similarity NPC41542
0.7619 Intermediate Similarity NPC159789
0.7619 Intermediate Similarity NPC273366
0.7614 Intermediate Similarity NPC208912
0.7614 Intermediate Similarity NPC328007
0.7614 Intermediate Similarity NPC268040
0.7614 Intermediate Similarity NPC13494
0.7614 Intermediate Similarity NPC121121
0.7614 Intermediate Similarity NPC2096
0.7609 Intermediate Similarity NPC477443
0.7609 Intermediate Similarity NPC61688
0.7609 Intermediate Similarity NPC30522
0.7609 Intermediate Similarity NPC200580
0.7609 Intermediate Similarity NPC477440
0.7604 Intermediate Similarity NPC74466
0.7604 Intermediate Similarity NPC470425
0.7595 Intermediate Similarity NPC469791
0.759 Intermediate Similarity NPC253805
0.759 Intermediate Similarity NPC474755
0.7586 Intermediate Similarity NPC125366
0.7586 Intermediate Similarity NPC477851
0.7582 Intermediate Similarity NPC264005
0.7582 Intermediate Similarity NPC269360
0.7579 Intermediate Similarity NPC287354
0.7579 Intermediate Similarity NPC98639
0.7579 Intermediate Similarity NPC62407
0.7561 Intermediate Similarity NPC477929
0.7561 Intermediate Similarity NPC108131
0.7558 Intermediate Similarity NPC329117
0.7556 Intermediate Similarity NPC294438

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC62572 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
0.8171 Intermediate Similarity NPD6117 Approved
0.8072 Intermediate Similarity NPD6116 Phase 1
0.7976 Intermediate Similarity NPD6114 Approved
0.7976 Intermediate Similarity NPD6115 Approved
0.7976 Intermediate Similarity NPD6697 Approved
0.7976 Intermediate Similarity NPD6118 Approved
0.7927 Intermediate Similarity NPD6113 Clinical (unspecified phase)
0.7683 Intermediate Similarity NPD4809 Clinical (unspecified phase)
0.7683 Intermediate Similarity NPD6081 Approved
0.7683 Intermediate Similarity NPD4808 Clinical (unspecified phase)
0.7654 Intermediate Similarity NPD3700 Clinical (unspecified phase)
0.7654 Intermediate Similarity NPD3699 Clinical (unspecified phase)
0.7634 Intermediate Similarity NPD8034 Phase 2
0.7634 Intermediate Similarity NPD8035 Phase 2
0.7619 Intermediate Similarity NPD3703 Phase 2
0.7556 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7474 Intermediate Similarity NPD7748 Approved
0.747 Intermediate Similarity NPD5777 Approved
0.7447 Intermediate Similarity NPD7515 Phase 2
0.7423 Intermediate Similarity NPD7902 Approved
0.7349 Intermediate Similarity NPD4245 Approved
0.7349 Intermediate Similarity NPD4244 Approved
0.7284 Intermediate Similarity NPD4224 Phase 2
0.7229 Intermediate Similarity NPD3698 Phase 2
0.7209 Intermediate Similarity NPD3702 Approved
0.7143 Intermediate Similarity NPD4789 Approved
0.7113 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7113 Intermediate Similarity NPD7900 Approved
0.7108 Intermediate Similarity NPD5360 Phase 3
0.7108 Intermediate Similarity NPD5361 Clinical (unspecified phase)
0.6966 Remote Similarity NPD3671 Phase 1
0.6951 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6837 Remote Similarity NPD6399 Phase 3
0.6827 Remote Similarity NPD8170 Clinical (unspecified phase)
0.6667 Remote Similarity NPD4758 Discontinued
0.6628 Remote Similarity NPD4267 Clinical (unspecified phase)
0.6604 Remote Similarity NPD5739 Approved
0.6604 Remote Similarity NPD6675 Approved
0.6604 Remote Similarity NPD7128 Approved
0.6604 Remote Similarity NPD6402 Approved
0.6593 Remote Similarity NPD5364 Discontinued
0.6574 Remote Similarity NPD6372 Approved
0.6574 Remote Similarity NPD6373 Approved
0.6574 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6562 Remote Similarity NPD3618 Phase 1
0.6531 Remote Similarity NPD5328 Approved
0.6505 Remote Similarity NPD7638 Approved
0.6481 Remote Similarity NPD7320 Approved
0.6481 Remote Similarity NPD6881 Approved
0.6481 Remote Similarity NPD6899 Approved
0.6481 Remote Similarity NPD5345 Clinical (unspecified phase)
0.646 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6455 Remote Similarity NPD6649 Approved
0.6455 Remote Similarity NPD6650 Approved
0.6452 Remote Similarity NPD6928 Phase 2
0.6449 Remote Similarity NPD6920 Discontinued
0.6442 Remote Similarity NPD7640 Approved
0.6442 Remote Similarity NPD7639 Approved
0.6442 Remote Similarity NPD8418 Phase 2
0.6429 Remote Similarity NPD7513 Clinical (unspecified phase)
0.64 Remote Similarity NPD6079 Approved
0.6389 Remote Similarity NPD5701 Approved
0.6389 Remote Similarity NPD5697 Approved
0.6364 Remote Similarity NPD7102 Approved
0.6364 Remote Similarity NPD6883 Approved
0.6364 Remote Similarity NPD7290 Approved
0.6354 Remote Similarity NPD4786 Approved
0.6346 Remote Similarity NPD5696 Approved
0.6344 Remote Similarity NPD7645 Phase 2
0.633 Remote Similarity NPD6011 Approved
0.6329 Remote Similarity NPD3729 Clinical (unspecified phase)
0.6321 Remote Similarity NPD7632 Discontinued
0.6316 Remote Similarity NPD3667 Approved
0.6311 Remote Similarity NPD7614 Phase 1
0.6311 Remote Similarity NPD4697 Phase 3
0.6306 Remote Similarity NPD8130 Phase 1
0.6306 Remote Similarity NPD6617 Approved
0.6306 Remote Similarity NPD6847 Approved
0.6306 Remote Similarity NPD6869 Approved
0.6306 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6273 Remote Similarity NPD6012 Approved
0.6273 Remote Similarity NPD6014 Approved
0.6273 Remote Similarity NPD6013 Approved
0.6271 Remote Similarity NPD8328 Phase 3
0.625 Remote Similarity NPD6083 Phase 2
0.625 Remote Similarity NPD6084 Phase 2
0.625 Remote Similarity NPD6882 Approved
0.625 Remote Similarity NPD8297 Approved
0.625 Remote Similarity NPD4788 Approved
0.6235 Remote Similarity NPD7909 Approved
0.6224 Remote Similarity NPD7334 Approved
0.6224 Remote Similarity NPD6684 Approved
0.6224 Remote Similarity NPD6409 Approved
0.6224 Remote Similarity NPD7146 Approved
0.6224 Remote Similarity NPD7521 Approved
0.6224 Remote Similarity NPD5330 Approved
0.6214 Remote Similarity NPD6356 Clinical (unspecified phase)
0.62 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6195 Remote Similarity NPD8133 Approved
0.618 Remote Similarity NPD4787 Phase 1
0.6174 Remote Similarity NPD7115 Discovery
0.6162 Remote Similarity NPD3573 Approved
0.6154 Remote Similarity NPD5222 Approved
0.6154 Remote Similarity NPD5221 Approved
0.6154 Remote Similarity NPD7732 Phase 3
0.6154 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6147 Remote Similarity NPD6008 Approved
0.6145 Remote Similarity NPD3198 Approved
0.6136 Remote Similarity NPD229 Approved
0.6125 Remote Similarity NPD615 Clinical (unspecified phase)
0.61 Remote Similarity NPD5737 Approved
0.61 Remote Similarity NPD6672 Approved
0.61 Remote Similarity NPD6903 Approved
0.6095 Remote Similarity NPD5173 Approved
0.6095 Remote Similarity NPD4755 Approved
0.6087 Remote Similarity NPD6868 Approved
0.6078 Remote Similarity NPD6411 Approved
0.6075 Remote Similarity NPD1700 Approved
0.6064 Remote Similarity NPD4802 Phase 2
0.6064 Remote Similarity NPD4238 Approved
0.6042 Remote Similarity NPD1779 Approved
0.6042 Remote Similarity NPD1780 Approved
0.6038 Remote Similarity NPD4225 Approved
0.602 Remote Similarity NPD3665 Phase 1
0.602 Remote Similarity NPD3666 Approved
0.602 Remote Similarity NPD3133 Approved
0.6019 Remote Similarity NPD4202 Approved
0.6019 Remote Similarity NPD8171 Discontinued
0.5983 Remote Similarity NPD6335 Approved
0.5982 Remote Similarity NPD4061 Clinical (unspecified phase)
0.5981 Remote Similarity NPD5285 Approved
0.5981 Remote Similarity NPD5286 Approved
0.5981 Remote Similarity NPD4700 Approved
0.5981 Remote Similarity NPD4696 Approved
0.5966 Remote Similarity NPD6291 Clinical (unspecified phase)
0.596 Remote Similarity NPD1694 Approved
0.5948 Remote Similarity NPD6274 Approved
0.5948 Remote Similarity NPD6940 Discontinued
0.5938 Remote Similarity NPD7525 Registered
0.5935 Remote Similarity NPD7736 Approved
0.5932 Remote Similarity NPD7100 Approved
0.5932 Remote Similarity NPD7101 Approved
0.5929 Remote Similarity NPD5955 Clinical (unspecified phase)
0.5926 Remote Similarity NPD5223 Approved
0.5918 Remote Similarity NPD3670 Clinical (unspecified phase)
0.5918 Remote Similarity NPD3669 Approved
0.5913 Remote Similarity NPD4632 Approved
0.5913 Remote Similarity NPD8298 Phase 2
0.5905 Remote Similarity NPD5210 Approved
0.5905 Remote Similarity NPD4629 Approved
0.5905 Remote Similarity NPD5695 Phase 3
0.59 Remote Similarity NPD3574 Clinical (unspecified phase)
0.5897 Remote Similarity NPD6317 Approved
0.5893 Remote Similarity NPD6415 Discontinued
0.5882 Remote Similarity NPD6101 Approved
0.5882 Remote Similarity NPD5764 Clinical (unspecified phase)
0.5872 Remote Similarity NPD5225 Approved
0.5872 Remote Similarity NPD4633 Approved
0.5872 Remote Similarity NPD5211 Phase 2
0.5872 Remote Similarity NPD5226 Approved
0.5872 Remote Similarity NPD5224 Approved
0.5859 Remote Similarity NPD3668 Phase 3
0.5847 Remote Similarity NPD6313 Approved
0.5847 Remote Similarity NPD6314 Approved
0.5833 Remote Similarity NPD6921 Approved
0.5833 Remote Similarity NPD6909 Approved
0.5833 Remote Similarity NPD6908 Approved
0.582 Remote Similarity NPD7492 Approved
0.5818 Remote Similarity NPD5174 Approved
0.5818 Remote Similarity NPD4754 Approved
0.5818 Remote Similarity NPD5175 Approved
0.581 Remote Similarity NPD6001 Approved
0.5804 Remote Similarity NPD6412 Phase 2
0.5804 Remote Similarity NPD7646 Clinical (unspecified phase)
0.5795 Remote Similarity NPD9496 Clinical (unspecified phase)
0.5772 Remote Similarity NPD6616 Approved
0.5772 Remote Similarity NPD7507 Approved
0.5766 Remote Similarity NPD5141 Approved
0.5763 Remote Similarity NPD6009 Approved
0.575 Remote Similarity NPD6059 Approved
0.575 Remote Similarity NPD6054 Approved
0.575 Remote Similarity NPD6319 Approved
0.5743 Remote Similarity NPD6098 Approved
0.5738 Remote Similarity NPD7604 Phase 2
0.5729 Remote Similarity NPD3617 Approved
0.5728 Remote Similarity NPD6673 Approved
0.5728 Remote Similarity NPD6080 Approved
0.5728 Remote Similarity NPD4753 Phase 2
0.5728 Remote Similarity NPD6904 Approved
0.5726 Remote Similarity NPD8293 Discontinued
0.5726 Remote Similarity NPD7078 Approved
0.5714 Remote Similarity NPD3725 Approved
0.5714 Remote Similarity NPD3726 Approved
0.5714 Remote Similarity NPD4767 Approved
0.5714 Remote Similarity NPD4768 Approved
0.5702 Remote Similarity NPD5983 Phase 2
0.5664 Remote Similarity NPD5954 Clinical (unspecified phase)
0.5657 Remote Similarity NPD4752 Clinical (unspecified phase)
0.5657 Remote Similarity NPD6435 Approved
0.5656 Remote Similarity NPD6370 Approved

Structure

External Identifiers

PubChem CID   11691319
ChEMBL   CHEMBL499859
ZINC  

Physicochemical Properties

Molecular Weight:  470.34
ALogP:  1.2952
MLogP:  4.32
XLogP:  6.558
# Rotatable Bonds:  8
Polar Surface Area:  63.6
# H-Bond Aceptor:  4
# H-Bond Donor:  1
# Rings:  6
# Heavy Atoms:  34

Download Data

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