Natural Product: NPC329913

Natural Product ID:  NPC329913
Common Name:   4-epi-Scopadulcic Acid B
IUPAC Name:  
Synonyms:  
Molecular Formula:   C27H34O5
Standard InCHIKey:  DQBAMWXMUCSBLO-CADUKSBLSA-N
Standard InCHI:  InChI=1S/C27H34O5/c1-24-12-13-27(16-24)18(15-20(24)28)14-19(32-22(29)17-8-5-4-6-9-17)21-25(2,23(30)31)10-7-11-26(21,27)3/h4-6,8-9,18-19,21H,7,10-16H2,1-3H3,(H,30,31)/t18-,19+,21-,24+,25-,26-,27-/m0/s1
Canonical SMILES:  O=C(c1ccccc1)O[C@@H]1C[C@H]2CC(=O)[C@]3(C[C@@]2([C@@]2([C@@H]1[C@](C)(CCC2)C(=O)O)C)CC3)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
NPO15289 Scoparia dulcis Species Plantaginaceae Eukaryota aerial parts Nanning, Guangxi Zhuang Autonomous Region, People’s Republic of China 2012-OCT PMID[24955889]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified ED50 = 37 nM 12880314
NPT2 Others Unspecified ED50 = 136.9 nM 12880314
NPT2 Others Unspecified ED50 = 59.3 nM 12880314
NPT2 Others Unspecified ED50 = 48.3 nM 12880314
NPT2 Others Unspecified ED50 = 124.3 nM 12880314
NPT3045 Cell Line NUGC-4 Homo sapiens ED50 = 109.9 nM 12880314
NPT2 Others Unspecified IC50 = 14600 nM 24955889
NPT1618 Individual Protein Peroxisome proliferator-activated receptor gamma Mus musculus EC50 > 100000 nM 24955889

  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 NPC329913 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
0.9843 High Similarity NPC126516
0.9385 High Similarity NPC48929
0.9385 High Similarity NPC203486
0.916 High Similarity NPC472656
0.9141 High Similarity NPC473220
0.9141 High Similarity NPC470753
0.9141 High Similarity NPC169913
0.9062 High Similarity NPC470765
0.9062 High Similarity NPC275576
0.8881 High Similarity NPC477896
0.8881 High Similarity NPC477893
0.8864 High Similarity NPC470278
0.8722 High Similarity NPC72915
0.8662 High Similarity NPC250046
0.8662 High Similarity NPC81698
0.8662 High Similarity NPC60509
0.8647 High Similarity NPC147561
0.8636 High Similarity NPC115797
0.8636 High Similarity NPC51448
0.8633 High Similarity NPC475135
0.8613 High Similarity NPC475373
0.8601 High Similarity NPC165260
0.8601 High Similarity NPC161239
0.8601 High Similarity NPC198455
0.8601 High Similarity NPC7095
0.8601 High Similarity NPC112216
0.8582 High Similarity NPC127857
0.8571 High Similarity NPC477468
0.8571 High Similarity NPC477894
0.8571 High Similarity NPC163087
0.8542 High Similarity NPC279442
0.8521 High Similarity NPC473602
0.8511 High Similarity NPC472569
0.8511 High Similarity NPC70716
0.8511 High Similarity NPC125106
0.8511 High Similarity NPC476974
0.8511 High Similarity NPC163719
0.8511 High Similarity NPC241951
0.8511 High Similarity NPC470152
0.8511 High Similarity NPC25768
0.8511 High Similarity NPC57628
0.8511 High Similarity NPC95265
0.8511 High Similarity NPC188865
0.8511 High Similarity NPC472570
0.8511 High Similarity NPC475122
0.8511 High Similarity NPC472573
0.8511 High Similarity NPC11685
0.8511 High Similarity NPC95810
0.8511 High Similarity NPC475759
0.85 High Similarity NPC182869
0.85 High Similarity NPC183540
0.8493 Intermediate Similarity NPC282239
0.8489 Intermediate Similarity NPC90614
0.8489 Intermediate Similarity NPC100913
0.8489 Intermediate Similarity NPC275592
0.8489 Intermediate Similarity NPC171207
0.8489 Intermediate Similarity NPC97667
0.8483 Intermediate Similarity NPC477905
0.8478 Intermediate Similarity NPC283375
0.8478 Intermediate Similarity NPC183122
0.8472 Intermediate Similarity NPC125033
0.8451 Intermediate Similarity NPC184817
0.8451 Intermediate Similarity NPC470159
0.8451 Intermediate Similarity NPC70403
0.8451 Intermediate Similarity NPC96903
0.8451 Intermediate Similarity NPC158663
0.8451 Intermediate Similarity NPC177940
0.8451 Intermediate Similarity NPC171525
0.8451 Intermediate Similarity NPC476973
0.8451 Intermediate Similarity NPC469349
0.8451 Intermediate Similarity NPC472556
0.8451 Intermediate Similarity NPC29704
0.8451 Intermediate Similarity NPC473088
0.8451 Intermediate Similarity NPC174982
0.8451 Intermediate Similarity NPC472568
0.8451 Intermediate Similarity NPC472571
0.8451 Intermediate Similarity NPC200471
0.8451 Intermediate Similarity NPC472572
0.8451 Intermediate Similarity NPC472575
0.8451 Intermediate Similarity NPC471104
0.8451 Intermediate Similarity NPC470157
0.845 Intermediate Similarity NPC473243
0.844 Intermediate Similarity NPC91703
0.8435 Intermediate Similarity NPC106895
0.8435 Intermediate Similarity NPC217091
0.8429 Intermediate Similarity NPC16912
0.8429 Intermediate Similarity NPC27377
0.8429 Intermediate Similarity NPC224491
0.8429 Intermediate Similarity NPC41481
0.8429 Intermediate Similarity NPC291599
0.8429 Intermediate Similarity NPC97947
0.8429 Intermediate Similarity NPC472576
0.8429 Intermediate Similarity NPC87448
0.8429 Intermediate Similarity NPC118080
0.8425 Intermediate Similarity NPC304876
0.8425 Intermediate Similarity NPC265395
0.8425 Intermediate Similarity NPC158333
0.8425 Intermediate Similarity NPC1173
0.8425 Intermediate Similarity NPC472005
0.8425 Intermediate Similarity NPC257213
0.8425 Intermediate Similarity NPC249471
0.8425 Intermediate Similarity NPC77719
0.8425 Intermediate Similarity NPC256142
0.8425 Intermediate Similarity NPC473414
0.8425 Intermediate Similarity NPC242262
0.8425 Intermediate Similarity NPC472030
0.8425 Intermediate Similarity NPC472022
0.8425 Intermediate Similarity NPC237549
0.8417 Intermediate Similarity NPC210591
0.8417 Intermediate Similarity NPC472371
0.8417 Intermediate Similarity NPC475652
0.8417 Intermediate Similarity NPC214550
0.8417 Intermediate Similarity NPC472395
0.8414 Intermediate Similarity NPC101043
0.8414 Intermediate Similarity NPC306799
0.8414 Intermediate Similarity NPC471103
0.8414 Intermediate Similarity NPC51602
0.8406 Intermediate Similarity NPC472374
0.8406 Intermediate Similarity NPC472372
0.8406 Intermediate Similarity NPC472551
0.8406 Intermediate Similarity NPC472545
0.8403 Intermediate Similarity NPC473215
0.8394 Intermediate Similarity NPC474608
0.8392 Intermediate Similarity NPC475552
0.8382 Intermediate Similarity NPC472394
0.8378 Intermediate Similarity NPC472393
0.837 Intermediate Similarity NPC272946
0.837 Intermediate Similarity NPC475138
0.8367 Intermediate Similarity NPC114410
0.8367 Intermediate Similarity NPC112523
0.8367 Intermediate Similarity NPC228204
0.8367 Intermediate Similarity NPC26033
0.8357 Intermediate Similarity NPC200592
0.8357 Intermediate Similarity NPC473112
0.8357 Intermediate Similarity NPC473085
0.8357 Intermediate Similarity NPC147880
0.8357 Intermediate Similarity NPC184747
0.8357 Intermediate Similarity NPC473109
0.8357 Intermediate Similarity NPC43241
0.8357 Intermediate Similarity NPC473758
0.8357 Intermediate Similarity NPC248287
0.8357 Intermediate Similarity NPC79921
0.8357 Intermediate Similarity NPC473060
0.8357 Intermediate Similarity NPC473613
0.8357 Intermediate Similarity NPC211137
0.8357 Intermediate Similarity NPC48017
0.8357 Intermediate Similarity NPC472547
0.8357 Intermediate Similarity NPC234548
0.8357 Intermediate Similarity NPC473081
0.8357 Intermediate Similarity NPC475400
0.8357 Intermediate Similarity NPC4341
0.8357 Intermediate Similarity NPC476094
0.8356 Intermediate Similarity NPC472548
0.8345 Intermediate Similarity NPC39549
0.8345 Intermediate Similarity NPC254558
0.8345 Intermediate Similarity NPC470245
0.8345 Intermediate Similarity NPC473214
0.8333 Intermediate Similarity NPC17877
0.8333 Intermediate Similarity NPC291638
0.8333 Intermediate Similarity NPC66761
0.8333 Intermediate Similarity NPC140118
0.8333 Intermediate Similarity NPC472577
0.8333 Intermediate Similarity NPC12881
0.8333 Intermediate Similarity NPC281717
0.8333 Intermediate Similarity NPC195647
0.8322 Intermediate Similarity NPC471107
0.8322 Intermediate Similarity NPC471102
0.8322 Intermediate Similarity NPC471100
0.831 Intermediate Similarity NPC95449
0.8299 Intermediate Similarity NPC472658
0.8299 Intermediate Similarity NPC472657
0.8276 Intermediate Similarity NPC473403
0.8276 Intermediate Similarity NPC301556
0.8276 Intermediate Similarity NPC476975
0.8276 Intermediate Similarity NPC266265
0.8276 Intermediate Similarity NPC270590
0.8276 Intermediate Similarity NPC92293
0.8276 Intermediate Similarity NPC471101
0.8271 Intermediate Similarity NPC295664
0.8264 Intermediate Similarity NPC474935
0.8261 Intermediate Similarity NPC477368
0.8261 Intermediate Similarity NPC477359
0.8261 Intermediate Similarity NPC310662
0.8255 Intermediate Similarity NPC469417
0.8255 Intermediate Similarity NPC469771
0.8254 Intermediate Similarity NPC128368
0.8252 Intermediate Similarity NPC470231
0.8244 Intermediate Similarity NPC50872
0.8243 Intermediate Similarity NPC469456
0.8243 Intermediate Similarity NPC21410
0.8243 Intermediate Similarity NPC472549
0.8243 Intermediate Similarity NPC473611
0.8243 Intermediate Similarity NPC473670
0.8243 Intermediate Similarity NPC132599
0.8243 Intermediate Similarity NPC473632
0.8243 Intermediate Similarity NPC469730
0.8235 Intermediate Similarity NPC477491
0.8235 Intermediate Similarity NPC471832
0.8231 Intermediate Similarity NPC202015
0.8227 Intermediate Similarity NPC473440

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC329913 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
0.8986 High Similarity NPD7236 Approved
0.8671 High Similarity NPD7239 Suspended
0.8248 Intermediate Similarity NPD7961 Discontinued
0.8146 Intermediate Similarity NPD7057 Phase 3
0.8146 Intermediate Similarity NPD7058 Phase 2
0.8102 Intermediate Similarity NPD5952 Clinical (unspecified phase)
0.8102 Intermediate Similarity NPD7008 Discontinued
0.7905 Intermediate Similarity NPD6273 Approved
0.7895 Intermediate Similarity NPD3412 Clinical (unspecified phase)
0.7812 Intermediate Similarity NPD2181 Clinical (unspecified phase)
0.7803 Intermediate Similarity NPD7610 Discontinued
0.7799 Intermediate Similarity NPD7799 Discontinued
0.7748 Intermediate Similarity NPD7458 Discontinued
0.771 Intermediate Similarity NPD5951 Approved
0.7704 Intermediate Similarity NPD7457 Clinical (unspecified phase)
0.7692 Intermediate Similarity NPD6858 Approved
0.7692 Intermediate Similarity NPD7094 Approved
0.7687 Intermediate Similarity NPD8166 Discontinued
0.7656 Intermediate Similarity NPD2182 Approved
0.7603 Intermediate Similarity NPD7702 Clinical (unspecified phase)
0.7568 Intermediate Similarity NPD7003 Approved
0.7519 Intermediate Similarity NPD6831 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD7163 Clinical (unspecified phase)
0.7484 Intermediate Similarity NPD8127 Discontinued
0.7483 Intermediate Similarity NPD6663 Approved
0.7466 Intermediate Similarity NPD7305 Phase 1
0.7447 Intermediate Similarity NPD5736 Approved
0.7444 Intermediate Similarity NPD2629 Approved
0.7391 Intermediate Similarity NPD6287 Discontinued
0.7388 Intermediate Similarity NPD4198 Discontinued
0.7376 Intermediate Similarity NPD6007 Clinical (unspecified phase)
0.7365 Intermediate Similarity NPD2346 Discontinued
0.7348 Intermediate Similarity NPD1609 Clinical (unspecified phase)
0.7344 Intermediate Similarity NPD164 Approved
0.7333 Intermediate Similarity NPD4628 Phase 3
0.7292 Intermediate Similarity NPD3764 Approved
0.7267 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7266 Intermediate Similarity NPD1930 Approved
0.7266 Intermediate Similarity NPD1931 Clinical (unspecified phase)
0.7266 Intermediate Similarity NPD1929 Approved
0.7255 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7248 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7241 Intermediate Similarity NPD8032 Phase 2
0.723 Intermediate Similarity NPD2799 Discontinued
0.7226 Intermediate Similarity NPD7741 Discontinued
0.7215 Intermediate Similarity NPD5761 Phase 2
0.7215 Intermediate Similarity NPD5760 Phase 2
0.7186 Intermediate Similarity NPD8368 Discontinued
0.7179 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7176 Intermediate Similarity NPD8424 Clinical (unspecified phase)
0.7172 Intermediate Similarity NPD2313 Discontinued
0.7165 Intermediate Similarity NPD1238 Approved
0.7165 Intermediate Similarity NPD2066 Phase 3
0.716 Intermediate Similarity NPD8407 Phase 2
0.7133 Intermediate Similarity NPD5740 Clinical (unspecified phase)
0.7133 Intermediate Similarity NPD6085 Phase 2
0.7132 Intermediate Similarity NPD6647 Phase 2
0.7123 Intermediate Similarity NPD7713 Phase 3
0.7122 Intermediate Similarity NPD3019 Approved
0.7107 Intermediate Similarity NPD7819 Suspended
0.7101 Intermediate Similarity NPD7009 Phase 2
0.7093 Intermediate Similarity NPD8435 Approved
0.7093 Intermediate Similarity NPD8361 Approved
0.7093 Intermediate Similarity NPD8360 Approved
0.7092 Intermediate Similarity NPD3972 Approved
0.7083 Intermediate Similarity NPD6764 Approved
0.7083 Intermediate Similarity NPD6765 Approved
0.7076 Intermediate Similarity NPD8434 Phase 2
0.7075 Intermediate Similarity NPD4140 Approved
0.707 Intermediate Similarity NPD3226 Approved
0.703 Intermediate Similarity NPD7997 Clinical (unspecified phase)
0.7027 Intermediate Similarity NPD6355 Discontinued
0.7018 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7015 Intermediate Similarity NPD4141 Clinical (unspecified phase)
0.7006 Intermediate Similarity NPD8470 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD2932 Approved
0.6993 Remote Similarity NPD1876 Approved
0.6985 Remote Similarity NPD6010 Discontinued
0.6978 Remote Similarity NPD9545 Approved
0.6972 Remote Similarity NPD4878 Approved
0.6962 Remote Similarity NPD6591 Clinical (unspecified phase)
0.6954 Remote Similarity NPD2935 Discontinued
0.6954 Remote Similarity NPD5405 Approved
0.6954 Remote Similarity NPD5408 Approved
0.6954 Remote Similarity NPD5404 Approved
0.6954 Remote Similarity NPD5406 Approved
0.695 Remote Similarity NPD3023 Approved
0.695 Remote Similarity NPD3026 Approved
0.6949 Remote Similarity NPD8485 Approved
0.6947 Remote Similarity NPD1237 Approved
0.6947 Remote Similarity NPD5909 Discontinued
0.694 Remote Similarity NPD2067 Discontinued
0.6934 Remote Similarity NPD690 Clinical (unspecified phase)
0.6933 Remote Similarity NPD7097 Phase 1
0.6929 Remote Similarity NPD3025 Approved
0.6929 Remote Similarity NPD3024 Approved
0.6923 Remote Similarity NPD2534 Approved
0.6923 Remote Similarity NPD2533 Approved
0.6923 Remote Similarity NPD1932 Approved
0.6923 Remote Similarity NPD2532 Approved
0.6919 Remote Similarity NPD6784 Approved
0.6919 Remote Similarity NPD6785 Approved
0.6905 Remote Similarity NPD5844 Phase 1
0.6897 Remote Similarity NPD2798 Approved
0.6894 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6892 Remote Similarity NPD7714 Approved
0.6892 Remote Similarity NPD7715 Approved
0.6886 Remote Similarity NPD7473 Discontinued
0.6883 Remote Similarity NPD4110 Phase 3
0.6883 Remote Similarity NPD4109 Clinical (unspecified phase)
0.6879 Remote Similarity NPD8150 Discontinued
0.6875 Remote Similarity NPD1283 Approved
0.6875 Remote Similarity NPD7411 Suspended
0.6866 Remote Similarity NPD2329 Discontinued
0.6852 Remote Similarity NPD8443 Clinical (unspecified phase)
0.685 Remote Similarity NPD1693 Approved
0.6846 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6846 Remote Similarity NPD2979 Phase 3
0.6833 Remote Similarity NPD8486 Clinical (unspecified phase)
0.6828 Remote Similarity NPD1470 Approved
0.6824 Remote Similarity NPD3268 Approved
0.6818 Remote Similarity NPD7879 Clinical (unspecified phase)
0.6813 Remote Similarity NPD6599 Discontinued
0.6813 Remote Similarity NPD7497 Discontinued
0.6813 Remote Similarity NPD7028 Phase 2
0.681 Remote Similarity NPD4868 Clinical (unspecified phase)
0.681 Remote Similarity NPD7768 Phase 2
0.6809 Remote Similarity NPD4196 Clinical (unspecified phase)
0.6803 Remote Similarity NPD7055 Discontinued
0.6802 Remote Similarity NPD8312 Approved
0.6802 Remote Similarity NPD8313 Approved
0.68 Remote Similarity NPD8397 Clinical (unspecified phase)
0.6797 Remote Similarity NPD1471 Phase 3
0.6774 Remote Similarity NPD3750 Approved
0.6774 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6772 Remote Similarity NPD5122 Clinical (unspecified phase)
0.6768 Remote Similarity NPD7075 Discontinued
0.6763 Remote Similarity NPD3317 Approved
0.6755 Remote Similarity NPD3528 Clinical (unspecified phase)
0.6748 Remote Similarity NPD8438 Clinical (unspecified phase)
0.6747 Remote Similarity NPD6959 Discontinued
0.6746 Remote Similarity NPD7177 Discontinued
0.6736 Remote Similarity NPD1608 Approved
0.6727 Remote Similarity NPD5537 Clinical (unspecified phase)
0.6726 Remote Similarity NPD7852 Clinical (unspecified phase)
0.6716 Remote Similarity NPD6685 Approved
0.6712 Remote Similarity NPD2797 Approved
0.6711 Remote Similarity NPD6798 Discontinued
0.6709 Remote Similarity NPD7422 Clinical (unspecified phase)
0.6708 Remote Similarity NPD4380 Phase 2
0.6707 Remote Similarity NPD6232 Discontinued
0.6693 Remote Similarity NPD1088 Approved
0.669 Remote Similarity NPD5327 Phase 3
0.6689 Remote Similarity NPD230 Phase 1
0.6689 Remote Similarity NPD6832 Phase 2
0.6688 Remote Similarity NPD2344 Approved
0.6688 Remote Similarity NPD5763 Approved
0.6688 Remote Similarity NPD5762 Approved
0.6687 Remote Similarity NPD5494 Approved
0.6686 Remote Similarity NPD7685 Pre-registration
0.6667 Remote Similarity NPD3748 Approved
0.6667 Remote Similarity NPD1509 Clinical (unspecified phase)
0.6667 Remote Similarity NPD3749 Approved
0.6667 Remote Similarity NPD1989 Approved
0.6667 Remote Similarity NPD1281 Approved
0.6667 Remote Similarity NPD4308 Phase 3
0.6667 Remote Similarity NPD1201 Approved
0.6646 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6646 Remote Similarity NPD7390 Discontinued
0.6645 Remote Similarity NPD970 Clinical (unspecified phase)
0.6645 Remote Similarity NPD6353 Approved
0.6644 Remote Similarity NPD7095 Approved
0.6644 Remote Similarity NPD6039 Approved
0.6643 Remote Similarity NPD5126 Approved
0.6643 Remote Similarity NPD5125 Phase 3
0.6643 Remote Similarity NPD3095 Discontinued
0.6643 Remote Similarity NPD7115 Discovery
0.6641 Remote Similarity NPD1202 Approved
0.6626 Remote Similarity NPD37 Approved
0.6624 Remote Similarity NPD6190 Approved
0.6623 Remote Similarity NPD6099 Approved
0.6623 Remote Similarity NPD6100 Approved
0.6623 Remote Similarity NPD2438 Suspended
0.6623 Remote Similarity NPD2796 Approved
0.662 Remote Similarity NPD3091 Approved
0.6619 Remote Similarity NPD4869 Clinical (unspecified phase)
0.6617 Remote Similarity NPD5738 Clinical (unspecified phase)
0.6615 Remote Similarity NPD3495 Discontinued
0.6615 Remote Similarity NPD7902 Approved
0.6607 Remote Similarity NPD7229 Phase 3
0.6606 Remote Similarity NPD4966 Approved
0.6606 Remote Similarity NPD4965 Approved
0.6606 Remote Similarity NPD4967 Phase 2
0.6604 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6604 Remote Similarity NPD4378 Clinical (unspecified phase)
0.66 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6599 Remote Similarity NPD3267 Approved
0.6599 Remote Similarity NPD3266 Approved
0.6597 Remote Similarity NPD4879 Approved
0.6596 Remote Similarity NPD9493 Approved

Structure

External Identifiers

PubChem CID   10917156
ChEMBL   CHEMBL509623
ZINC  

Physicochemical Properties

Molecular Weight:  438.24
ALogP:  0.0729
MLogP:  3.88
XLogP:  6.357
# Rotatable Bonds:  8
Polar Surface Area:  80.67
# H-Bond Aceptor:  5
# H-Bond Donor:  1
# Rings:  5
# Heavy Atoms:  32

Download Data

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