Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Experiment: 1Herb: 12Ingredient: 1Reference: 11Target: 12Links: 36
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 6674
- Core Entity Id
- 10597
- Source Entity Count
- 1
- Preferred Name
- Hesperidin
- Name En
- Pubchem Id
- 10621
- Smiles Canonical
- C([H])([H])([H])[C@]1([H])O[C@@]([H])(OC([H])([H])[C@]2([H])O[C@]([H])(Oc3c([H])c(O[C@@]([H])(c4c([H])c([H])c(OC([H])([H])[H])c(O[H])c4[H])C([H])([H])C5=O)c5c(O[H])c3[H])[C@@]([H])(O[H])[C@]([H])(O[H] )[C@@]2([H])O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H]
- Molecular Formula
- C16H14O6
- Molecular Weight
- 302.2820
- Inchikey
- AIONOLUJZLIMTK-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3
- Isomeric Smiles
- COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)O
- Cas Id
- 520-26-3
- Ob Score
- 13.3346
- Mol Logp
- -1.1566
- Num H Donors
- 3
- Num H Acceptors
- 15
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.1850
- Polar Surface Area
- 234.0000
- Molecular Volume
- 372.0000
- Alogp
- 0.0000
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
5,7-Dihydroxy-2-(3-Hydroxy-4-Methoxyphenyl)Chroman-4-One
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
5,7-Dihydroxy-2-(3-Hydroxy-4-Methoxyphenyl)Chroman-4-One
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chroman-4-one
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chroman-4-one
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chroman-4-one
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chroman-4-one
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Hesperidin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Hesperidin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Hesperidin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
hesperidin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
hesperidin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
半边莲
Role
TCM_name
Source
TCMBank
Preferred
No
Name
Lobelia chinensis
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(+/-)-Hesperetin
Role
alias
Source
itcmdb_public
Preferred
No
Name
(+/-)-Hesperetin
Role
alias
Source
HERB_v2
Preferred
No
Name
(2R)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-chromanone
Role
alias
Source
TCMBank
Preferred
No
Name
(2R)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chroman-4-one
Role
alias
Source
TCMBank
Preferred
No
Name
(2S)-5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-chromanone, 3',5,7-Trihydroxy-4-methoxyflavanone
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S)-5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-chromanone, 3',5,7-Trihydroxy-4-methoxyflavanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2S)-5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxymethyl]oxan-2-yl]oxy-chroman-4-one
Role
alias
Source
TCMBank
Preferred
No
Name
(2S)-5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chroman-4-one
Role
alias
Source
TCMBank
Preferred
No
Name
(2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
Role
alias
Source
TCMBank
Preferred
No
Name
(2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxymethyl]-2-tetrahydropyranyl]oxy]-4-chromanone
Role
alias
Source
TCMBank
Preferred
No
Name
(2S)-Hesperidin
Role
alias
Source
TCMBank
Preferred
No
Name
(Rac)-Hesperetin
Role
alias
Source
HERB_v2
Preferred
No
Name
(S)-(--)-hesperidin
Role
alias
Source
TCMBank
Preferred
No
Name
(S)-7-[[6-O-(6-Deoxy-.alpha.-L-mannopyranosyl)-.beta.-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one
Role
alias
Source
TCMBank
Preferred
No
Name
106904-63-6
Role
alias
Source
TCMBank
Preferred
No
Name
15512-51-3
Role
alias
Source
TCMBank
Preferred
No
Name
16643-24-6
Role
alias
Source
TCMBank
Preferred
No
Name
17654-22-7
Role
alias
Source
TCMBank
Preferred
No
Name
28283-75-2
Role
alias
Source
TCMBank
Preferred
No
Name
3',5'-Dihydroxy-4'-methoxy-7-rutinosyloxyflavan-4-on
Role
alias
Source
TCMBank
Preferred
No
Name
30927-97-0
Role
alias
Source
TCMBank
Preferred
No
Name
32737-61-4
Role
alias
Source
TCMBank
Preferred
No
Name
4H-1-Benzopyran-4-one, 7-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydo-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-, (S)-
Role
alias
Source
TCMBank
Preferred
No
Name
4H-1-Benzopyran-4-one, 7-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-, (2S)-
Role
alias
Source
TCMBank
Preferred
No
Name
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5-18-05-00218 (Beilstein Handbook Reference)
Role
alias
Source
TCMBank
Preferred
No
Name
5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-((6-O-alpha-L-rhamnopyranosyl-beta-D-glucopyranosyl)oxy)-4-chromanon
Role
alias
Source
TCMBank
Preferred
No
Name
520-26-3
Role
alias
Source
TCMBank
Preferred
No
Name
520-26-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
520-26-3
Role
alias
Source
HERB_v2
Preferred
No
Name
69097-99-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
69097-99-0
Role
alias
Source
HERB_v2
Preferred
No
Name
7-((6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one, (S)-
Role
alias
Source
TCMBank
Preferred
No
Name
7-(6-O-Desoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-chromanon
Role
alias
Source
TCMBank
Preferred
No
Name
AIDS-001414
Role
alias
Source
TCMBank
Preferred
No
Name
Atripliside B
Role
alias
Source
TCMBank
Preferred
No
Name
BCBcMAP01_000136
Role
alias
Source
TCMBank
Preferred
No
Name
BPBio1_000681
Role
alias
Source
TCMBank
Preferred
No
Name
BRN 0075140
Role
alias
Source
TCMBank
Preferred
No
Name
BSPBio_000619
Role
alias
Source
TCMBank
Preferred
No
Name
C09755
Role
alias
Source
TCMBank
Preferred
No
Name
CCRIS 3940
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:28775
Role
alias
Source
TCMBank
Preferred
No
Name
Cirantin
Role
alias
Source
HERB_v2
Preferred
No
Name
Cirantin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ciratin
Role
alias
Source
HERB_v2
Preferred
No
Name
Ciratin
Role
alias
Source
TCMBank
Preferred
No
Name
Ciratin
Role
alias
Source
itcmdb_public
Preferred
No
Name
D01038
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 208-288-1
Role
alias
Source
TCMBank
Preferred
No
Name
Flavanone, 3',5,7-trihydroxy-4'-methoxy-, 7-(6-O-a-L-rhamnosyl-D-glucoside) (7CI)
Role
alias
Source
TCMBank
Preferred
No
Name
Flavanone, 3',5,7-trihydroxy-4'-methoxy-, 7-(6-O-alpha-L-rhamnosyl-delta-glucoside) (7CI)
Role
alias
Source
TCMBank
Preferred
No
Name
Glucopyranoside, hesperetin-7 6-O-(6-deoxy-alpha-L-mannopyranosyl)-, beta-D-
Role
alias
Source
TCMBank
Preferred
No
Name
Hesper bitabs
Role
alias
Source
itcmdb_public
Preferred
No
Name
Hesper bitabs
Role
alias
Source
TCMBank
Preferred
No
Name
Hesper bitabs
Role
alias
Source
HERB_v2
Preferred
No
Name
Hesperetin 7-O-rutinoside
Role
alias
Source
TCMBank
Preferred
No
Name
Hesperetin 7-rhamnoglucoside
Role
alias
Source
HERB_v2
Preferred
No
Name
Hesperetin 7-rhamnoglucoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
Hesperetin 7-rutinoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
Hesperetin 7-rutinoside
Role
alias
Source
HERB_v2
Preferred
No
Name
Hesperetin, 7-(6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside)
Role
alias
Source
TCMBank
Preferred
No
Name
Hesperetin-rutinosid
Role
alias
Source
HERB_v2
Preferred
No
Name
Hesperetin-rutinosid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Hesperetin-rutinosid
Role
alias
Source
TCMBank
Preferred
No
Name
Hesperetin-rutinoside
Role
alias
Source
TCMBank
Preferred
No
Name
Hesperidin (JAN)
Role
alias
Source
TCMBank
Preferred
No
Name
Hesperidine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Hesperidine
Role
alias
Source
HERB_v2
Preferred
No
Name
Hesperidine
Role
alias
Source
TCMBank
Preferred
No
Name
Hesperidoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
Hesperidoside
Role
alias
Source
HERB_v2
Preferred
No
Name
Hesperitin-7-rhamnoglucoside
Role
alias
Source
TCMBank
Preferred
No
Name
MLS000849829
Role
alias
Source
TCMBank
Preferred
No
Name
MLS002667896
Role
alias
Source
itcmdb_public
Preferred
No
Name
MLS002667896
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC 44184
Role
alias
Source
TCMBank
Preferred
No
Name
NSC641520
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC641520
Role
alias
Source
HERB_v2
Preferred
No
Name
Prestwick3_000400
Role
alias
Source
TCMBank
Preferred
No
Name
SMP1_000149
Role
alias
Source
TCMBank
Preferred
No
Name
SMR000455847
Role
alias
Source
TCMBank
Preferred
No
Name
STOCK1N-12322
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC00039091
Role
alias
Source
TCMBank
Preferred
No
Name
hesperetine
Role
alias
Source
HERB_v2
Preferred
No
Name
hesperetine
Role
alias
Source
itcmdb_public
Preferred
No
Name
hesperidin
Role
alias
Source
TCMBank
Preferred
No
Name
rac-Hesperetin
Role
alias
Source
itcmdb_public
Preferred
No
Name
2.清热药(64-64)
Role
level1_name
Source
TCMBank
Preferred
No
Name
heat-clearing medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
3.清热解毒药(30-30)
Role
level2_name
Source
TCMBank
Preferred
No
Name
heat-clearing and detoxicating medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
5,7-Dihydroxy-2-(3-Hydroxy-4-Methoxyphenyl)Chroman-4-One半边莲Lobelia chinensis(+/-)-Hesperetin(2R)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-chromanone(2R)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chroman-4-one(2S)-5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-chromanone, 3',5,7-Trihydroxy-4-methoxyflavanone(2S)-5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxymethyl]oxan-2-yl]oxy-chroman-4-one(2S)-5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chroman-4-one(2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside(2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxymethyl]-2-tetrahydropyranyl]oxy]-4-chromanone(2S)-Hesperidin(Rac)-Hesperetin(S)-(--)-hesperidin(S)-7-[[6-O-(6-Deoxy-.alpha.-L-mannopyranosyl)-.beta.-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one106904-63-615512-51-316643-24-617654-22-728283-75-23',5'-Dihydroxy-4'-methoxy-7-rutinosyloxyflavan-4-on30927-97-032737-61-44H-1-Benzopyran-4-one, 7-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydo-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-, (S)-4H-1-Benzopyran-4-one, 7-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-, (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one5-18-05-00218 (Beilstein Handbook Reference)5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-((6-O-alpha-L-rhamnopyranosyl-beta-D-glucopyranosyl)oxy)-4-chromanon520-26-369097-99-07-((6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one, (S)-7-(6-O-Desoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-chromanonAIDS-001414Atripliside BBCBcMAP01_000136BPBio1_000681BRN 0075140BSPBio_000619C09755CCRIS 3940CHEBI:28775CirantinCiratinD01038EINECS 208-288-1Flavanone, 3',5,7-trihydroxy-4'-methoxy-, 7-(6-O-a-L-rhamnosyl-D-glucoside) (7CI)Flavanone, 3',5,7-trihydroxy-4'-methoxy-, 7-(6-O-alpha-L-rhamnosyl-delta-glucoside) (7CI)Glucopyranoside, hesperetin-7 6-O-(6-deoxy-alpha-L-mannopyranosyl)-, beta-D-Hesper bitabsHesperetin 7-O-rutinosideHesperetin 7-rhamnoglucosideHesperetin 7-rutinosideHesperetin, 7-(6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside)Hesperetin-rutinosidHesperetin-rutinosideHesperidin (JAN)HesperidineHesperidosideHesperitin-7-rhamnoglucosideMLS000849829MLS002667896NSC 44184NSC641520Prestwick3_000400SMP1_000149SMR000455847STOCK1N-12322ZINC00039091hesperetinerac-Hesperetin2.清热药(64-64)heat-clearing medicinal3.清热解毒药(30-30)heat-clearing and detoxicating medicinal
Cross References
Trusted external identifiers retained for this final record.
Cas
520-26-3
Herb
HBIN011258HBIN029196
Tcmid
9457
Tcmsp
MOL005100MOL007930
Sym Map
SMIT00275SMIT06905
Tcm Id
1306713068130691493414935149361493715386156451564616456182741827518276182771827818279182801828119667228562285722858228592286022861228622286322864228652286622867228682286922870228713769
Pub Chem
10621129010007163944973593359444143719453581314593392253477767570199964199396761528657928491927750
Tcmbank
TCMBANKIN028834TCMBANKIN036863
Etcm Ingredient
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chroman-4-onehesperidin
Itcmdb Generated
ITX-INGREDIENT-8A5BC7BB801BITX-INGREDIENT-F1AA0DF69E83
Attributes
Merged source attributes and domain-specific metadata.
Type
Blood ingredients,Other ingredients,QC ingredientsOther ingredients
Alog P
0
In Ch I
InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1
Mol Wt
302.2819999999999610.5650000000007
Cas Id
520-26-3
Smiles
C([H])([H])([H])[C@]1([H])O[C@@]([H])(OC([H])([H])[C@]2([H])O[C@]([H])(Oc3c([H])c(O[C@@]([H])(c4c([H])c([H])c(OC([H])([H])[H])c(O[H])c4[H])C([H])([H])C5=O)c5c(O[H])c3[H])[C@@]([H])(O[H])[C@]([H])(O[H]
)[C@@]2([H])O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H]COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)O
37 Flag
37
C Count
28
Mol Log P
-1.15662.518500000000003
N Count
0
O Count
15
P Count
0
S Count
0
Version
v1,v2
In Ch Ikey
AIONOLUJZLIMTK-UHFFFAOYSA-NQUQPHWDTPGMPEX-QJBIFVCTSA-N
Ob Score
13.334613.3346002313.33547.73647.7364369447.736437
Suppress
0
Tcm Name
半边莲
Mol2 Path
/TCM_database/2.清热药(64-64)/3.清热解毒药(30-30)/半边莲/Structure/hesperidin.mol2
Num Hdonors
38
Tcm Name En
Lobelia chinensis
Level1 Name
2.清热药(64-64)
Level2 Name
3.清热解毒药(30-30)
Num H Donors
8
Drug Likeness
0.1850.789
Num Hacceptors
156
Level1 Name En
heat-clearing medicinal
Level2 Name En
heat-clearing and detoxicating medicinal
Isomeric Smiles
COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)OC[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O
Molecule Weight
302.3610.62
Num H Acceptors
15
Canonical Smiles
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)OCOC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)O
Herb Alias Names
69097-99-0(Rac)-Hesperetinrac-Hesperetinhesperetine(+/-)-Hesperetin5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-oneNSC641520MLS002667896(2S)-5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-chromanone, 3',5,7-Trihydroxy-4-methoxyflavanone
Molecular Weight
302.080610.190
Molecular Volume
372
Molecular Weight
610.56611
Molecule Formula
C28H34O15
Molecular Formula
C16H14O6C28H34O15
Molecular Formula
C28H34O15
Molecular Formula
C16H14O6C28H34O15
Num Rotatable Bonds
27
Num Rotatable Bonds
7
Molecular Polar Surface Area
234
Fda Maximum Daily Dose (Fdamdd)
0.0510.580
Quantitative Estimate Of Drug Likeness(Qed)
0.1850.789