Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Trial: 4Herb: 12Ingredient: 1Meta-analysis: 1Reference: 7Target: 12Links: 36
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 17381
- Core Entity Id
- 22488
- Source Entity Count
- 1
- Preferred Name
- Diosmin
- Name En
- Pubchem Id
- 5281613
- Smiles Canonical
- CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O
- Molecular Formula
- C28H32O15
- Molecular Weight
- 608.5490
- Inchikey
- GZSOSUNBTXMUFQ-YFAPSIMESA-N
- Inchi
- InChI=1S/C28H32O15/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/h3-8,10,19,21-30,32-37H,9H2,1-2H3/t10-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1
- Isomeric Smiles
- C[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(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O
- Cas Id
- Ob Score
- 12.7043
- Mol Logp
- -1.0897
- Num H Donors
- 8
- Num H Acceptors
- 15
- Num Rotatable Bonds
- 7
- Drug Likeness
- 0.1590
- Polar Surface Area
- 234.0000
- Molecular Volume
- 376.0000
- Alogp
- 0.0000
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Diosmin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Diosmin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Diosmin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Diosmin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
diosmin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
4H-1-Benzopyran-4-one, 7-((6-O-(6-deoxy-.alpha.-L-mannopyranosyl)-.beta.- D-glucopyranosyl)oxy)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-
Role
alias
Source
TCMBank
Preferred
No
Name
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-chromen-4-one
Role
alias
Source
TCMBank
Preferred
No
Name
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-chromen-4-one
Role
alias
Source
TCMBank
Preferred
No
Name
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-chromone
Role
alias
Source
TCMBank
Preferred
No
Name
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-chromenone
Role
alias
Source
TCMBank
Preferred
No
Name
520-27-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
520-27-4
Role
alias
Source
TCMBank
Preferred
No
Name
520-27-4
Role
alias
Source
HERB_v2
Preferred
No
Name
AIDS059330
Role
alias
Source
TCMBank
Preferred
No
Name
Barosmin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Barosmin
Role
alias
Source
HERB_v2
Preferred
No
Name
C10039
Role
alias
Source
TCMBank
Preferred
No
Name
CCRIS 7915
Role
alias
Source
TCMBank
Preferred
No
Name
D3908
Role
alias
Source
TCMBank
Preferred
No
Name
Daflon
Role
alias
Source
HERB_v2
Preferred
No
Name
Daflon
Role
alias
Source
itcmdb_public
Preferred
No
Name
Diosimin
Role
alias
Source
HERB_v2
Preferred
No
Name
Diosimin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Diosmetin 7-O-rutinoside
Role
alias
Source
TCMBank
Preferred
No
Name
Diosmil
Role
alias
Source
HERB_v2
Preferred
No
Name
Diosmil
Role
alias
Source
itcmdb_public
Preferred
No
Name
Diosmin [INN-Spanish]
Role
alias
Source
TCMBank
Preferred
No
Name
Diosmin [INN]
Role
alias
Source
TCMBank
Preferred
No
Name
Diosmine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Diosmine
Role
alias
Source
HERB_v2
Preferred
No
Name
Diosmine [INN-French]
Role
alias
Source
TCMBank
Preferred
No
Name
Diosminum [INN-Latin]
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 208-289-7
Role
alias
Source
TCMBank
Preferred
No
Name
Flebosten
Role
alias
Source
itcmdb_public
Preferred
No
Name
Flebosten
Role
alias
Source
HERB_v2
Preferred
No
Name
SMP1_000183
Role
alias
Source
TCMBank
Preferred
No
Name
STOCK1N-14729
Role
alias
Source
TCMBank
Preferred
No
Name
Tovene
Role
alias
Source
HERB_v2
Preferred
No
Name
Tovene
Role
alias
Source
itcmdb_public
Preferred
No
Name
Venosmine
Role
alias
Source
HERB_v2
Preferred
No
Name
Venosmine
Role
alias
Source
itcmdb_public
Preferred
No
Name
diosmin
Role
alias
Source
TCMBank
Preferred
No
Name
柠檬皮;荨麻;荠菜子;高加索蓝盆花;柠檬;八仙草;白刺花;白刺花叶;佛手;铃声玄参;入地金牛;鹰不泊;迷迭香;荠菜;飞龙掌血
Role
TCM_name
Source
TCMBank
Preferred
No
Name
NING MENG PI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Lemon Pericarp .
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
4H-1-Benzopyran-4-one, 7-((6-O-(6-deoxy-.alpha.-L-mannopyranosyl)-.beta.- D-glucopyranosyl)oxy)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-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-chromen-4-one5-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-chromen-4-one5-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-chromone5-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-chromenone520-27-4AIDS059330BarosminC10039CCRIS 7915D3908DaflonDiosiminDiosmetin 7-O-rutinosideDiosmilDiosmin [INN-Spanish]Diosmin [INN]DiosmineDiosmine [INN-French]Diosminum [INN-Latin]EINECS 208-289-7FlebostenSMP1_000183STOCK1N-14729ToveneVenosmine柠檬皮;荨麻;荠菜子;高加索蓝盆花;柠檬;八仙草;白刺花;白刺花叶;佛手;铃声玄参;入地金牛;鹰不泊;迷迭香;荠菜;飞龙掌血NING MENG PILemon Pericarp .
Cross References
Trusted external identifiers retained for this final record.
Cas
520-27-4
Hit
C0027
Herb
HBIN024193
Npass
NPC209296
Tcmid
6453
Tcmsp
MOL005093
Sym Map
SMIT01384SMIT06901
Tcm Id
1261012611126121450114502145031450415338153651557015571179431794417945179461808718088199592197721978219792198021981219822198321984219852198621987219882198921990219912243722438224394839
Pub Chem
5281613
Tcmbank
TCMBANKIN036880TCMBANKIN055794
Etcm Ingredient
Diosmin
Itcmdb Generated
ITX-INGREDIENT-5DB3FA867DE0ITX-INGREDIENT-366721DF6663
Attributes
Merged source attributes and domain-specific metadata.
Alog P
0
In Ch I
InChI=1S/C28H32O15/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/h3-8,10,19,21-30,32-37H,9H2,1-2H3/t10-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1
Mol Wt
608.5490000000007
Smiles
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O
37 Flag
37
C Count
28
Mol Log P
-1.0897
N Count
0
O Count
15
P Count
0
S Count
0
Version
v1,v2
In Ch Ikey
GZSOSUNBTXMUFQ-YFAPSIMESA-N
Ob Score
12.70427833
Suppress
1
Tcm Name
柠檬皮;荨麻;荠菜子;高加索蓝盆花;柠檬;八仙草;白刺花;白刺花叶;佛手;铃声玄参;入地金牛;鹰不泊;迷迭香;荠菜;飞龙掌血
Tcm Name2
NING MENG PI
Mol2 Path
/TCM_database/2.清热药(64-64)/3.清热解毒药(30-30)/半边莲/Structure/diosmin.mol2
Reference
6, 658, 660
Num Hdonors
8
Tcm Name En
Lemon Pericarp .
Num H Donors
8
Drug Likeness
0.159
Num Hacceptors
15
Isomeric Smiles
C[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(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O
Molecule Weight
608.6
Num H Acceptors
15
Canonical Smiles
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O
Herb Alias Names
520-27-4BarosminDiosiminFlebostenVenosmineDiosmilDiosmineDaflonTovene
Molecular Weight
608.170
Molecular Volume
376
Molecular Weight
608.5 g/mol
Molecule Formula
C28H32O15
Molecular Formula
C28H32O15
Molecular Formula
C28H32O15
Molecular Formula
C28H32O15
Num Rotatable Bonds
7
Link Ingredient Id
1384.0
Num Rotatable Bonds
7
Molecular Polar Surface Area
234
Fda Maximum Daily Dose (Fdamdd)
0.015
Quantitative Estimate Of Drug Likeness（Qed）
0.159