Natural Product: NPC73013

Natural Product ID:  NPC73013
Common Name:   Ursolic Acid Lactone Acetate
IUPAC Name:  
Synonyms:   Ursolic Acid Lactone Acetate
Molecular Formula:   C32H50O4
Standard InCHIKey:  NJLCBLDWBHWOFU-NOAGMNDJSA-N
Standard InCHI:  InChI=1S/C32H50O4/c1-19-9-15-31-18-17-30(8)29(7)14-10-22-27(4,5)24(35-21(3)33)12-13-28(22,6)23(29)11-16-32(30,36-26(31)34)25(31)20(19)2/h19-20,22-25H,9-18H2,1-8H3/t19-,20+,22+,23-,24+,25-,28+,29-,30+,31+,32+/m1/s1
Canonical SMILES:  CC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC[C@]23[C@@]1(C)CC[C@@]1([C@H]3[C@@H](C)[C@H](C)CC1)C(=O)O2)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
NPO32779.1 Eucalyptus camaldulensis Under-species Myrtaceae Eukaryota Leaves PMID[11000033]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1268 Tissue Jejunum Oryctolagus cuniculus Ratio = 17.51 24992075
NPT1268 Tissue Jejunum Oryctolagus cuniculus Ratio = 6.2 22037378

  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 NPC73013 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
0.9221 High Similarity NPC280781
0.9221 High Similarity NPC48756
0.9079 High Similarity NPC31031
0.9079 High Similarity NPC243594
0.8919 High Similarity NPC475230
0.8765 High Similarity NPC62572
0.8734 High Similarity NPC474870
0.8734 High Similarity NPC271572
0.8667 High Similarity NPC109510
0.8608 High Similarity NPC261616
0.859 High Similarity NPC472608
0.8553 High Similarity NPC55508
0.85 High Similarity NPC50658
0.8471 Intermediate Similarity NPC185529
0.8471 Intermediate Similarity NPC472146
0.8415 Intermediate Similarity NPC34984
0.8415 Intermediate Similarity NPC473299
0.8415 Intermediate Similarity NPC25037
0.8395 Intermediate Similarity NPC13494
0.8356 Intermediate Similarity NPC84562
0.8333 Intermediate Similarity NPC471046
0.8276 Intermediate Similarity NPC472147
0.8276 Intermediate Similarity NPC472148
0.8272 Intermediate Similarity NPC58631
0.8272 Intermediate Similarity NPC476071
0.8267 Intermediate Similarity NPC178541
0.8193 Intermediate Similarity NPC105895
0.8171 Intermediate Similarity NPC61107
0.8171 Intermediate Similarity NPC289486
0.8148 Intermediate Similarity NPC125366
0.8125 Intermediate Similarity NPC26029
0.8101 Intermediate Similarity NPC108840
0.8095 Intermediate Similarity NPC98270
0.8095 Intermediate Similarity NPC474572
0.809 Intermediate Similarity NPC82633
0.8077 Intermediate Similarity NPC159325
0.8077 Intermediate Similarity NPC74639
0.8077 Intermediate Similarity NPC168511
0.8046 Intermediate Similarity NPC18536
0.8046 Intermediate Similarity NPC50443
0.8 Intermediate Similarity NPC307865
0.8 Intermediate Similarity NPC298168
0.8 Intermediate Similarity NPC163685
0.8 Intermediate Similarity NPC235109
0.8 Intermediate Similarity NPC143133
0.8 Intermediate Similarity NPC471151
0.7976 Intermediate Similarity NPC475509
0.7976 Intermediate Similarity NPC9060
0.7976 Intermediate Similarity NPC181871
0.7949 Intermediate Similarity NPC477229
0.7949 Intermediate Similarity NPC282905
0.7949 Intermediate Similarity NPC474755
0.7949 Intermediate Similarity NPC68426
0.7931 Intermediate Similarity NPC472233
0.7931 Intermediate Similarity NPC472234
0.7931 Intermediate Similarity NPC471459
0.7931 Intermediate Similarity NPC67653
0.7927 Intermediate Similarity NPC134227
0.7907 Intermediate Similarity NPC46912
0.7907 Intermediate Similarity NPC162107
0.7895 Intermediate Similarity NPC475977
0.7875 Intermediate Similarity NPC4209
0.7826 Intermediate Similarity NPC472144
0.7821 Intermediate Similarity NPC197701
0.7816 Intermediate Similarity NPC4309
0.7816 Intermediate Similarity NPC474845
0.7808 Intermediate Similarity NPC306750
0.7805 Intermediate Similarity NPC80891
0.7805 Intermediate Similarity NPC201276
0.7805 Intermediate Similarity NPC220379
0.7792 Intermediate Similarity NPC295788
0.7791 Intermediate Similarity NPC329943
0.7791 Intermediate Similarity NPC10005
0.7791 Intermediate Similarity NPC9892
0.7791 Intermediate Similarity NPC91525
0.7778 Intermediate Similarity NPC23884
0.7778 Intermediate Similarity NPC317913
0.7778 Intermediate Similarity NPC112463
0.7778 Intermediate Similarity NPC84868
0.7778 Intermediate Similarity NPC207010
0.7765 Intermediate Similarity NPC319909
0.7765 Intermediate Similarity NPC65133
0.7765 Intermediate Similarity NPC219535
0.7765 Intermediate Similarity NPC237938
0.7763 Intermediate Similarity NPC41542
0.7753 Intermediate Similarity NPC160506
0.775 Intermediate Similarity NPC212733
0.775 Intermediate Similarity NPC267753
0.7738 Intermediate Similarity NPC30583
0.7727 Intermediate Similarity NPC30522
0.7727 Intermediate Similarity NPC475049
0.7717 Intermediate Similarity NPC472145
0.7717 Intermediate Similarity NPC10057
0.7711 Intermediate Similarity NPC475456
0.7701 Intermediate Similarity NPC252714
0.7683 Intermediate Similarity NPC80089
0.7683 Intermediate Similarity NPC171426
0.7683 Intermediate Similarity NPC224802
0.7683 Intermediate Similarity NPC324700
0.7683 Intermediate Similarity NPC34046
0.7674 Intermediate Similarity NPC477445
0.7671 Intermediate Similarity NPC478126
0.7667 Intermediate Similarity NPC63118
0.7667 Intermediate Similarity NPC49776
0.7667 Intermediate Similarity NPC474436
0.7662 Intermediate Similarity NPC100917
0.7662 Intermediate Similarity NPC281203
0.7662 Intermediate Similarity NPC469724
0.7662 Intermediate Similarity NPC31187
0.7654 Intermediate Similarity NPC92489
0.7647 Intermediate Similarity NPC269684
0.764 Intermediate Similarity NPC475211
0.764 Intermediate Similarity NPC88337
0.764 Intermediate Similarity NPC470114
0.764 Intermediate Similarity NPC120840
0.764 Intermediate Similarity NPC113989
0.7625 Intermediate Similarity NPC280026
0.7625 Intermediate Similarity NPC272359
0.7625 Intermediate Similarity NPC130011
0.7625 Intermediate Similarity NPC96759
0.7625 Intermediate Similarity NPC167702
0.7619 Intermediate Similarity NPC12933
0.7619 Intermediate Similarity NPC73515
0.7614 Intermediate Similarity NPC224145
0.7614 Intermediate Similarity NPC3032
0.7614 Intermediate Similarity NPC473319
0.7614 Intermediate Similarity NPC131104
0.7609 Intermediate Similarity NPC327179
0.7595 Intermediate Similarity NPC469940
0.7595 Intermediate Similarity NPC247195
0.759 Intermediate Similarity NPC477287
0.759 Intermediate Similarity NPC320144
0.759 Intermediate Similarity NPC474754
0.7586 Intermediate Similarity NPC83242
0.7586 Intermediate Similarity NPC187545
0.7561 Intermediate Similarity NPC143250
0.7561 Intermediate Similarity NPC212453
0.7558 Intermediate Similarity NPC473336
0.7558 Intermediate Similarity NPC474996
0.7558 Intermediate Similarity NPC477434
0.7558 Intermediate Similarity NPC471044
0.7556 Intermediate Similarity NPC471901
0.7556 Intermediate Similarity NPC285184
0.7556 Intermediate Similarity NPC470590
0.7556 Intermediate Similarity NPC77099
0.7556 Intermediate Similarity NPC60755
0.7553 Intermediate Similarity NPC80417
0.7531 Intermediate Similarity NPC72444
0.7531 Intermediate Similarity NPC179858
0.7531 Intermediate Similarity NPC174964
0.7531 Intermediate Similarity NPC97534
0.7531 Intermediate Similarity NPC195155
0.75 Intermediate Similarity NPC304194
0.75 Intermediate Similarity NPC19311
0.75 Intermediate Similarity NPC81759
0.75 Intermediate Similarity NPC33768
0.75 Intermediate Similarity NPC253805
0.75 Intermediate Similarity NPC230047
0.7474 Intermediate Similarity NPC235142
0.7473 Intermediate Similarity NPC471902
0.7473 Intermediate Similarity NPC472231
0.7473 Intermediate Similarity NPC474379
0.7473 Intermediate Similarity NPC472232
0.7473 Intermediate Similarity NPC86368
0.7473 Intermediate Similarity NPC473690
0.7473 Intermediate Similarity NPC287118
0.7471 Intermediate Similarity NPC131350
0.747 Intermediate Similarity NPC329117
0.747 Intermediate Similarity NPC185465
0.7447 Intermediate Similarity NPC234617
0.7447 Intermediate Similarity NPC164349
0.7447 Intermediate Similarity NPC124703
0.7444 Intermediate Similarity NPC474728
0.7442 Intermediate Similarity NPC471037
0.7439 Intermediate Similarity NPC5767
0.7439 Intermediate Similarity NPC475742
0.7436 Intermediate Similarity NPC2568
0.7436 Intermediate Similarity NPC260319
0.7436 Intermediate Similarity NPC103647
0.7436 Intermediate Similarity NPC180777
0.7432 Intermediate Similarity NPC204173
0.7423 Intermediate Similarity NPC327093
0.7416 Intermediate Similarity NPC221993
0.7416 Intermediate Similarity NPC471221
0.7416 Intermediate Similarity NPC474719
0.7412 Intermediate Similarity NPC190940
0.7412 Intermediate Similarity NPC475743
0.7396 Intermediate Similarity NPC80640
0.7391 Intermediate Similarity NPC78580
0.7391 Intermediate Similarity NPC184006
0.7391 Intermediate Similarity NPC296164
0.7391 Intermediate Similarity NPC74751
0.7391 Intermediate Similarity NPC247877
0.7391 Intermediate Similarity NPC303863
0.7391 Intermediate Similarity NPC23621
0.7391 Intermediate Similarity NPC309127
0.7386 Intermediate Similarity NPC477441
0.7386 Intermediate Similarity NPC471042
0.7386 Intermediate Similarity NPC120395
0.7386 Intermediate Similarity NPC2783

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC73013 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
0.7875 Intermediate Similarity NPD6117 Approved
0.7821 Intermediate Similarity NPD5777 Approved
0.7778 Intermediate Similarity NPD6116 Phase 1
0.7753 Intermediate Similarity NPD8034 Phase 2
0.7753 Intermediate Similarity NPD8035 Phase 2
0.7683 Intermediate Similarity NPD6697 Approved
0.7683 Intermediate Similarity NPD6114 Approved
0.7683 Intermediate Similarity NPD6118 Approved
0.7683 Intermediate Similarity NPD6115 Approved
0.7625 Intermediate Similarity NPD6113 Clinical (unspecified phase)
0.7582 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7582 Intermediate Similarity NPD7900 Approved
0.7391 Intermediate Similarity NPD7748 Approved
0.734 Intermediate Similarity NPD7902 Approved
0.7273 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.716 Intermediate Similarity NPD4809 Clinical (unspecified phase)
0.716 Intermediate Similarity NPD4808 Clinical (unspecified phase)
0.7125 Intermediate Similarity NPD3700 Clinical (unspecified phase)
0.7125 Intermediate Similarity NPD3699 Clinical (unspecified phase)
0.7108 Intermediate Similarity NPD3702 Approved
0.7 Intermediate Similarity NPD5360 Phase 3
0.7 Intermediate Similarity NPD5361 Clinical (unspecified phase)
0.6989 Remote Similarity NPD7515 Phase 2
0.6962 Remote Similarity NPD4224 Phase 2
0.6951 Remote Similarity NPD6081 Approved
0.6905 Remote Similarity NPD3703 Phase 2
0.6829 Remote Similarity NPD4245 Approved
0.6829 Remote Similarity NPD4244 Approved
0.6707 Remote Similarity NPD3698 Phase 2
0.6667 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6627 Remote Similarity NPD4789 Approved
0.6598 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6585 Remote Similarity NPD229 Approved
0.6562 Remote Similarity NPD6399 Phase 3
0.6548 Remote Similarity NPD4758 Discontinued
0.6506 Remote Similarity NPD4267 Clinical (unspecified phase)
0.6477 Remote Similarity NPD3671 Phase 1
0.6477 Remote Similarity NPD5364 Discontinued
0.6452 Remote Similarity NPD7521 Approved
0.6452 Remote Similarity NPD7334 Approved
0.6452 Remote Similarity NPD6409 Approved
0.6452 Remote Similarity NPD5330 Approved
0.6452 Remote Similarity NPD6684 Approved
0.6452 Remote Similarity NPD7146 Approved
0.6444 Remote Similarity NPD1779 Approved
0.6444 Remote Similarity NPD1780 Approved
0.642 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6408 Remote Similarity NPD8170 Clinical (unspecified phase)
0.6383 Remote Similarity NPD3573 Approved
0.6346 Remote Similarity NPD6008 Approved
0.6337 Remote Similarity NPD8418 Phase 2
0.6321 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6316 Remote Similarity NPD6903 Approved
0.6316 Remote Similarity NPD5737 Approved
0.6316 Remote Similarity NPD6672 Approved
0.6239 Remote Similarity NPD8133 Approved
0.6238 Remote Similarity NPD7638 Approved
0.622 Remote Similarity NPD9496 Clinical (unspecified phase)
0.6216 Remote Similarity NPD8295 Clinical (unspecified phase)
0.619 Remote Similarity NPD7128 Approved
0.619 Remote Similarity NPD6402 Approved
0.619 Remote Similarity NPD6675 Approved
0.619 Remote Similarity NPD5739 Approved
0.6176 Remote Similarity NPD7639 Approved
0.6176 Remote Similarity NPD7640 Approved
0.617 Remote Similarity NPD1694 Approved
0.6168 Remote Similarity NPD6373 Approved
0.6168 Remote Similarity NPD6372 Approved
0.6162 Remote Similarity NPD6001 Approved
0.6154 Remote Similarity NPD6928 Phase 2
0.6132 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6118 Remote Similarity NPD3726 Approved
0.6118 Remote Similarity NPD3725 Approved
0.6105 Remote Similarity NPD6098 Approved
0.6105 Remote Similarity NPD3618 Phase 1
0.6082 Remote Similarity NPD6904 Approved
0.6082 Remote Similarity NPD6673 Approved
0.6082 Remote Similarity NPD6080 Approved
0.6075 Remote Similarity NPD6899 Approved
0.6075 Remote Similarity NPD6881 Approved
0.6075 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6075 Remote Similarity NPD7320 Approved
0.6058 Remote Similarity NPD7632 Discontinued
0.6055 Remote Similarity NPD6649 Approved
0.6055 Remote Similarity NPD6650 Approved
0.6055 Remote Similarity NPD8130 Phase 1
0.6047 Remote Similarity NPD4787 Phase 1
0.6044 Remote Similarity NPD7645 Phase 2
0.604 Remote Similarity NPD7732 Phase 3
0.6038 Remote Similarity NPD8040 Discontinued
0.6022 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6 Remote Similarity NPD8297 Approved
0.5981 Remote Similarity NPD5701 Approved
0.5981 Remote Similarity NPD5697 Approved
0.598 Remote Similarity NPD6083 Phase 2
0.598 Remote Similarity NPD6084 Phase 2
0.5974 Remote Similarity NPD3729 Clinical (unspecified phase)
0.5963 Remote Similarity NPD7102 Approved
0.5963 Remote Similarity NPD5955 Clinical (unspecified phase)
0.5963 Remote Similarity NPD7290 Approved
0.5963 Remote Similarity NPD6883 Approved
0.5962 Remote Similarity NPD1700 Approved
0.5957 Remote Similarity NPD3669 Approved
0.5957 Remote Similarity NPD3670 Clinical (unspecified phase)
0.5957 Remote Similarity NPD4788 Approved
0.5929 Remote Similarity NPD7115 Discovery
0.5926 Remote Similarity NPD6011 Approved
0.5922 Remote Similarity NPD5696 Approved
0.5918 Remote Similarity NPD7285 Clinical (unspecified phase)
0.5918 Remote Similarity NPD5328 Approved
0.5909 Remote Similarity NPD6401 Clinical (unspecified phase)
0.5909 Remote Similarity NPD6617 Approved
0.5909 Remote Similarity NPD6847 Approved
0.5909 Remote Similarity NPD6869 Approved
0.59 Remote Similarity NPD8171 Discontinued
0.5897 Remote Similarity NPD8328 Phase 3
0.5895 Remote Similarity NPD4786 Approved
0.5895 Remote Similarity NPD3668 Phase 3
0.5888 Remote Similarity NPD6920 Discontinued
0.5882 Remote Similarity NPD5349 Clinical (unspecified phase)
0.5872 Remote Similarity NPD4061 Clinical (unspecified phase)
0.5872 Remote Similarity NPD6012 Approved
0.5872 Remote Similarity NPD6014 Approved
0.5872 Remote Similarity NPD6013 Approved
0.5859 Remote Similarity NPD5207 Approved
0.5856 Remote Similarity NPD6882 Approved
0.5851 Remote Similarity NPD3667 Approved
0.5849 Remote Similarity NPD7912 Approved
0.5849 Remote Similarity NPD7987 Approved
0.5849 Remote Similarity NPD7986 Approved
0.5849 Remote Similarity NPD7911 Approved
0.5824 Remote Similarity NPD8143 Approved
0.5824 Remote Similarity NPD8144 Approved
0.5816 Remote Similarity NPD5208 Approved
0.5806 Remote Similarity NPD7525 Registered
0.5802 Remote Similarity NPD3198 Approved
0.58 Remote Similarity NPD5693 Phase 1
0.58 Remote Similarity NPD6050 Approved
0.58 Remote Similarity NPD6079 Approved
0.5784 Remote Similarity NPD5695 Phase 3
0.5773 Remote Similarity NPD3574 Clinical (unspecified phase)
0.5769 Remote Similarity NPD615 Clinical (unspecified phase)
0.5769 Remote Similarity NPD4225 Approved
0.5761 Remote Similarity NPD4802 Phase 2
0.5761 Remote Similarity NPD4238 Approved
0.5758 Remote Similarity NPD6051 Approved
0.5743 Remote Similarity NPD4202 Approved
0.5728 Remote Similarity NPD4697 Phase 3
0.5714 Remote Similarity NPD7909 Approved
0.5702 Remote Similarity NPD6940 Discontinued
0.5702 Remote Similarity NPD7736 Approved
0.5701 Remote Similarity NPD6052 Approved
0.57 Remote Similarity NPD5692 Phase 3
0.5688 Remote Similarity NPD7989 Approved
0.5688 Remote Similarity NPD7990 Approved
0.5673 Remote Similarity NPD4755 Approved
0.5664 Remote Similarity NPD8298 Phase 2
0.5644 Remote Similarity NPD5694 Approved
0.5644 Remote Similarity NPD6411 Approved
0.5631 Remote Similarity NPD7991 Discontinued
0.5616 Remote Similarity NPD2699 Approved
0.5612 Remote Similarity NPD8308 Discontinued
0.5603 Remote Similarity NPD6335 Approved

Structure

External Identifiers

PubChem CID   21669106
ChEMBL   CHEMBL486180
ZINC  

Physicochemical Properties

Molecular Weight:  498.37
ALogP:  1.7739
MLogP:  4.54
XLogP:  9.185
# Rotatable Bonds:  10
Polar Surface Area:  52.6
# H-Bond Aceptor:  4
# H-Bond Donor:  0
# Rings:  6
# Heavy Atoms:  36

Download Data

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