Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Experiment: 9Herb: 12Ingredient: 1Reference: 3Target: 15Links: 39
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 986
- Core Entity Id
- 4291
- Source Entity Count
- 1
- Preferred Name
- Vitamin e
- Name En
- Pubchem Id
- 12359166
- Smiles Canonical
- CC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C)C
- Molecular Formula
- C27H46O2
- Molecular Weight
- 402.6630
- Inchikey
- GVJHHUAWPYXKBD-IEOSBIPESA-N
- Inchi
- InChI=1S/C27H46O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-27(6)17-15-24-19-25(28)23(5)18-26(24)29-27/h18-22,28H,7-17H2,1-6H3/t21-,22-,27-/m1/s1
- Isomeric Smiles
- CC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C)C
- Cas Id
- 21-59-0/1406-18
- Ob Score
- 14.2646
- Mol Logp
- 8.2234
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 12
- Drug Likeness
- 0.3590
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(Β+Γ)-Tocopherol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Vitamin E Β-
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
2,5,7,8-TETRAMETHYL-2-(4,8,12-TRIMETHYLTRIDECYL)-6-CHROMANOL
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2,5,7,8-TETRAMETHYL-2-(4,8,12-TRIMETHYLTRIDECYL)-6-CHROMANOL
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2,5,7,8-Tetramethyl-2-(4,8,12-Trimethyltridecyl)-6-Chromanol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-6-chromanol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-6-chromanol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
VIV
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Vitamin Eβ
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Vitamin Eβ‡
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Vitamin e
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Vitamin e
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Viv
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
vitamin eγ
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Δ-Tocopherol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Δ-tocopherol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Δ-tocopherol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
α-Tocopherol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
δ-tocopherol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
五味子
Role
TCM_name
Source
TCMBank
Preferred
No
Name
木槿子
Role
TCM_name
Source
TCMBank
Preferred
No
Name
落花生
Role
TCM_name
Source
TCMBank
Preferred
No
Name
蔓荆子
Role
TCM_name
Source
TCMBank
Preferred
No
Name
酢浆草
Role
TCM_name
Source
TCMBank
Preferred
No
Name
醋柳果
Role
TCM_name
Source
TCMBank
Preferred
No
Name
CU LIU GUO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
LUO HUA SHENG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
MAN JING ZI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
MU JIN ZI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
WU WEI ZI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
ZUO JIANG CAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Chinese Magnoliavine
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Creeping Oxalis
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Peanut
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Seabuckthorn Fruit
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Shrubalthea Fruit
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Threeleaf Chastetree Fruit
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(+-)-Med-E
Role
alias
Source
TCMBank
Preferred
No
Name
(+-)-alpha-Tocopherol
Role
alias
Source
TCMBank
Preferred
No
Name
(2R)-2,5,7,8-TETRAMETHYL-2-[(4R,8R)-4,8,12-TRIMETHYLTRIDECYL]CHROMAN-6-OL
Role
alias
Source
TCMBank
Preferred
No
Name
(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-ol
Role
alias
Source
TCMBank
Preferred
No
Name
(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-6-chromanol
Role
alias
Source
TCMBank
Preferred
No
Name
(2R*(4R*,8R*))-(1)-3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-ol
Role
alias
Source
TCMBank
Preferred
No
Name
(R)-2,5,7,8-tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-3,4-dihydro-2H-chromen-6-ol
Role
alias
Source
TCMBank
Preferred
No
Name
10191-41-0
Role
alias
Source
HERB_v2
Preferred
No
Name
10191-41-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
10191-41-0
Role
alias
Source
TCMBank
Preferred
No
Name
11105-14-9
Role
alias
Source
TCMBank
Preferred
No
Name
1406-18-4
Role
alias
Source
TCMBank
Preferred
No
Name
16826-11-2
Role
alias
Source
TCMBank
Preferred
No
Name
181591-70-8
Role
alias
Source
TCMBank
Preferred
No
Name
2,5,7,8-Tetramethyl-2-(4',8',12'-trimethyltridecyl)-6-chromanol
Role
alias
Source
TCMBank
Preferred
No
Name
2074-53-5
Role
alias
Source
HERB_v2
Preferred
No
Name
2074-53-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
25094-97-7
Role
alias
Source
TCMBank
Preferred
No
Name
2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, (2R*(4R*,8R*))-(+-)- (9CI)
Role
alias
Source
TCMBank
Preferred
No
Name
2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, (2R)-
Role
alias
Source
TCMBank
Preferred
No
Name
3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-ol
Role
alias
Source
TCMBank
Preferred
No
Name
4072-33-7
Role
alias
Source
TCMBank
Preferred
No
Name
5,7,8-Trimethyltocol
Role
alias
Source
TCMBank
Preferred
No
Name
5,7,8-Trimethyltocol
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7,8-Trimethyltocol
Role
alias
Source
HERB_v2
Preferred
No
Name
5-17-04-00168 (Beilstein Handbook Reference)
Role
alias
Source
TCMBank
Preferred
No
Name
59-02-9
Role
alias
Source
TCMBank
Preferred
No
Name
59-02-9
Role
alias
Source
HERB_v2
Preferred
No
Name
59-02-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-Chromanol, 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-
Role
alias
Source
TCMBank
Preferred
No
Name
89550_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
A-tocopherol
Role
alias
Source
HERB_v2
Preferred
No
Name
AIDS-072178
Role
alias
Source
TCMBank
Preferred
No
Name
BPBio1_000362
Role
alias
Source
TCMBank
Preferred
No
Name
BRN 0094012
Role
alias
Source
TCMBank
Preferred
No
Name
BSPBio_000328
Role
alias
Source
TCMBank
Preferred
No
Name
C02477
Role
alias
Source
TCMBank
Preferred
No
Name
CCRIS 5853
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:18145
Role
alias
Source
TCMBank
Preferred
No
Name
D-alpha-Tocopherol
Role
alias
Source
itcmdb_public
Preferred
No
Name
D-alpha-Tocopherol
Role
alias
Source
HERB_v2
Preferred
No
Name
DL-ALPHA-TOCOPHEROL
Role
alias
Source
HERB_v2
Preferred
No
Name
DL-alpha tocopherol
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 215-798-8
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 218-197-9
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 233-466-0
Role
alias
Source
TCMBank
Preferred
No
Name
Ephanyl
Role
alias
Source
HERB_v2
Preferred
No
Name
Ephanyl
Role
alias
Source
TCMBank
Preferred
No
Name
Ephanyl
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMPR02020001
Role
alias
Source
TCMBank
Preferred
No
Name
LS-187838
Role
alias
Source
TCMBank
Preferred
No
Name
MLS001066396
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00142625-01
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00142625-03
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00142625-04
Role
alias
Source
TCMBank
Preferred
No
Name
NSC 82623
Role
alias
Source
TCMBank
Preferred
No
Name
PZZKGQBMBVYPGR-VHFRWLAGSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
PZZKGQBMBVYPGR-VHFRWLAGSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
Pheryl-E
Role
alias
Source
TCMBank
Preferred
No
Name
Phytogermine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Phytogermine
Role
alias
Source
HERB_v2
Preferred
No
Name
Prestwick3_000404
Role
alias
Source
TCMBank
Preferred
No
Name
Prestwick_653
Role
alias
Source
TCMBank
Preferred
No
Name
SMR000471844
Role
alias
Source
TCMBank
Preferred
No
Name
ST073358
Role
alias
Source
TCMBank
Preferred
No
Name
T1539_SIGMA
Role
alias
Source
TCMBank
Preferred
No
Name
T3634_SIGMA
Role
alias
Source
TCMBank
Preferred
No
Name
TOCOPHEROL
Role
alias
Source
itcmdb_public
Preferred
No
Name
TOCOPHEROL
Role
alias
Source
HERB_v2
Preferred
No
Name
Tocol, 7-methyl
Role
alias
Source
HERB_v2
Preferred
No
Name
Tocol, 7-methyl
Role
alias
Source
itcmdb_public
Preferred
No
Name
Tocopherol (R,S)
Role
alias
Source
TCMBank
Preferred
No
Name
Tocopheroxy radical
Role
alias
Source
HERB_v2
Preferred
No
Name
Tocopheroxy radical
Role
alias
Source
itcmdb_public
Preferred
No
Name
Vita plus E
Role
alias
Source
TCMBank
Preferred
No
Name
Vitamin E
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC04095858
Role
alias
Source
TCMBank
Preferred
No
Name
all-rac-alpha-Tocopherol
Role
alias
Source
HERB_v2
Preferred
No
Name
all-rac-alpha-Tocopherol
Role
alias
Source
itcmdb_public
Preferred
No
Name
alpha Tocopherol
Role
alias
Source
itcmdb_public
Preferred
No
Name
alpha-Tocopherol
Role
alias
Source
HERB_v2
Preferred
No
Name
alpha-Tocopherol, DL-
Role
alias
Source
itcmdb_public
Preferred
No
Name
alpha-Tocopherol, DL-
Role
alias
Source
HERB_v2
Preferred
No
Name
alpha-tochopherol
Role
alias
Source
itcmdb_public
Preferred
No
Name
alpha-tochopherol
Role
alias
Source
HERB_v2
Preferred
No
Name
dl-
Role
alias
Source
HERB_v2
Preferred
No
Name
dl-|A-tocopherol
Role
alias
Source
itcmdb_public
Preferred
No
Name
nchembio730-comp13
Role
alias
Source
TCMBank
Preferred
No
Name
tocopherol
Role
alias
Source
TCMBank
Preferred
No
Name
α-tocopher
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(Β+Γ)-TocopherolVitamin E Β-2,5,7,8-TETRAMETHYL-2-(4,8,12-TRIMETHYLTRIDECYL)-6-CHROMANOLVIVVitamin EβVitamin Eβ‡vitamin eγΔ-Tocopherolα-Tocopherol五味子木槿子落花生蔓荆子酢浆草醋柳果CU LIU GUOLUO HUA SHENGMAN JING ZIMU JIN ZIWU WEI ZIZUO JIANG CAOChinese MagnoliavineCreeping OxalisPeanutSeabuckthorn FruitShrubalthea FruitThreeleaf Chastetree Fruit(+-)-Med-E(+-)-alpha-Tocopherol(2R)-2,5,7,8-TETRAMETHYL-2-[(4R,8R)-4,8,12-TRIMETHYLTRIDECYL]CHROMAN-6-OL(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-ol(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-6-chromanol(2R*(4R*,8R*))-(1)-3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-ol(R)-2,5,7,8-tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-3,4-dihydro-2H-chromen-6-ol10191-41-011105-14-91406-18-416826-11-2181591-70-82,5,7,8-Tetramethyl-2-(4',8',12'-trimethyltridecyl)-6-chromanol2074-53-525094-97-72H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, (2R*(4R*,8R*))-(+-)- (9CI)2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, (2R)-3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-ol4072-33-75,7,8-Trimethyltocol5-17-04-00168 (Beilstein Handbook Reference)59-02-96-Chromanol, 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-89550_FLUKAA-tocopherolAIDS-072178BPBio1_000362BRN 0094012BSPBio_000328C02477CCRIS 5853CHEBI:18145D-alpha-TocopherolDL-ALPHA-TOCOPHEROLDL-alpha tocopherolEINECS 215-798-8EINECS 218-197-9EINECS 233-466-0EphanylLMPR02020001LS-187838MLS001066396NCGC00142625-01NCGC00142625-03NCGC00142625-04NSC 82623PZZKGQBMBVYPGR-VHFRWLAGSA-NPheryl-EPhytogerminePrestwick3_000404Prestwick_653SMR000471844ST073358T1539_SIGMAT3634_SIGMATOCOPHEROLTocol, 7-methylTocopherol (R,S)Tocopheroxy radicalVita plus EZINC04095858all-rac-alpha-Tocopherolalpha Tocopherolalpha-Tocopherolalpha-Tocopherol, DL-alpha-tochopheroldl-dl-|A-tocopherolnchembio730-comp13α-tocopher
Cross References
Trusted external identifiers retained for this final record.
Cas
119-13-11406-18-4
Hit
C0482
Herb
HBIN004586HBIN015727HBIN048051HBIN048065HBIN048145HBIN049226
Npass
NPC17425NPC242580
Tcmid
21396213992312532214326853268639298
Tcmsp
MOL002771MOL005056MOL007180MOL008695MOL010278
Sym Map
SMIT00740SMIT01672SMIT04959SMIT06874SMIT08665SMIT11337SMIT17951SMIT20042SMIT27414SMIT27418
Tcm Id
13725137261372713728137291373013731146971469814699147001506515066150671506815069150701521760517606189191892018921189221892318924189251892618927189281892918930189311893218933
Pub Chem
123591661498515489001742129211691751459
Tcmbank
TCMBANKIN000427TCMBANKIN005390TCMBANKIN010936TCMBANKIN017858TCMBANKIN019942TCMBANKIN019956TCMBANKIN024509TCMBANKIN026444TCMBANKIN039356TCMBANKIN040056TCMBANKIN041760TCMBANKIN044280TCMBANKIN046308TCMBANKIN059746TCMBANKIN059766
Drug Bank
DB00163DB11251
Etcm Ingredient
2,5,7,8-TETRAMETHYL-2-(4,8,12-TRIMETHYLTRIDECYL)-6-CHROMANOLVitamin Eβ‡Vitamin Eγ‡tocopherolvitamin-eβ-tocopherolδ-tocopherol
Itcmdb Generated
ITX-INGREDIENT-29A57CBFEAC3ITX-INGREDIENT-3B0693A71085ITX-INGREDIENT-3DB109EC536AITX-INGREDIENT-41870B456EB3ITX-INGREDIENT-446C4780F5DCITX-INGREDIENT-6240E5C53546ITX-INGREDIENT-6618DD4B8AF5ITX-INGREDIENT-8E8113378850ITX-INGREDIENT-926E97A31A54ITX-INGREDIENT-A69827294A7CITX-INGREDIENT-C87A5E3994EBITX-INGREDIENT-CBE348B378F8ITX-INGREDIENT-CDCA7570F67AITX-INGREDIENT-CE45C1D30E3CITX-INGREDIENT-D936E5A1408BITX-INGREDIENT-DFC59C0FC496ITX-INGREDIENT-E695B7CFCA43ITX-INGREDIENT-EB89FF7AE34B
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C27H46O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-27(6)17-15-24-19-25(28)23(5)18-26(24)29-27/h18-22,28H,7-17H2,1-6H3/t21-,22-,27-/m1/s1InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22-,29-/m1/s1
Mol Wt
402.6630000000002430.7170000000002
Cas Id
21-59-0/1406-18
Smiles
CC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C)CCC1=C2C(=CC(=C1)O)CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)CCC1=CC2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C
Mol Log P
8.2234200000000068.840260000000002
Version
v1,v2v2
In Ch Ikey
GVJHHUAWPYXKBD-IEOSBIPESA-NGVJHHUAWPYXKBD-UHFFFAOYSA-NPZZKGQBMBVYPGR-VHFRWLAGSA-N
Ob Score
14.26461314.2646132114.26461321;14.4497389114.26514.4497389114.44973916.3568623916.357
Suppress
0
Tcm Name
五味子木槿子落花生蔓荆子酢浆草醋柳果
Tcm Name2
CU LIU GUOLUO HUA SHENGMAN JING ZIMU JIN ZIWU WEI ZIZUO JIANG CAO
Mol2 Path
/TCM_database/2007_3d_all/21412.mol2/TCM_database/2007_3d_all/21413.mol2/TCM_database/2007_3d_all/21414.mol2/TCM_database/2007_3d_all/21415.mol2/TCM_database/2007_3d_all/22559.mol2/TCM_database/2007_3d_all/22560.mol2/TCM_database/2007_3d_all/22561.mol2
Reference
2, 6, 658, 660, 1521, 2189, 2570, 2587, 3452, 3475, 3813, 3846, 3874, 3891, 4121, 4211, 4464,4506, 4508, 4710, 4787, 5013, 5483, 5507, 55082, 6, 7. ‡Note: see compound 214132, 6. ‡Note: see compound 214122, 6. ‡Note: see compound 21414660. ‡Note: See compound 22559660. ‡Note: See compound 22561660. ‡Note: see compound 22560.
Num Hdonors
1
Tcm Name En
Chinese MagnoliavineCreeping OxalisPeanutSeabuckthorn FruitShrubalthea FruitThreeleaf Chastetree Fruit
Drug Likeness
0.3590.381
Num Hacceptors
2
Isomeric Smiles
CC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C)CCC1=C(C2=C(CC[C@@](O2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=C1O)C)CCC1=CC2=C(CC[C@@](O2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C=C1O
Molecule Weight
402.73430.79
Canonical Smiles
CC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C)CCC1=CC2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C=C1O
Herb Alias Names
DL-ALPHA-TOCOPHEROL10191-41-0alpha-tochopheroldl-|A-tocopherolTOCOPHEROLTocopheroxy radicalEphanylDL-alpha tocopherolalpha-Tocopherol, DL-all-rac-alpha-Tocopherol
Molecular Weight
402.350416.370430.380490.220
Molecular Weight
430.7 g/mol
Molecule Formula
C27H46O2
Molecular Formula
C24H34N4O5SC27H46O2C28H48O2C29H50O2
Molecular Formula
C28H48O2C29H50O2
Molecular Formula
C27H46O2C29H50O2
Num Rotatable Bonds
12
Fda Maximum Daily Dose (Fdamdd)
0.0200.0650.0760.2460.2550.945
Quantitative Estimate Of Drug Likeness（Qed）
0.3590.3700.3810.473