Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 25119
- Core Entity Id
- 31114
- Source Entity Count
- 1
- Preferred Name
- Luteolin-7-rutinoside
- Name En
- Pubchem Id
- 44258082
- Smiles Canonical
- CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O)O
- Molecular Formula
- C27H30O15
- Molecular Weight
- 594.5220
- Inchikey
- MGYBYJXAXUBTQF-TWJLCPPASA-N
- Inchi
- InChI=1S/C27H30O15/c1-9-20(32)22(34)24(36)26(39-9)38-8-18-21(33)23(35)25(37)27(42-18)40-11-5-14(30)19-15(31)7-16(41-17(19)6-11)10-2-3-12(28)13(29)4-10/h2-7,9,18,20-30,32-37H,8H2,1H3/t9?,18?,20-,21+,22-,23-,24?,25?,26+,27+/m0/s1
- Isomeric Smiles
- CC1[C@@H]([C@@H](C([C@@H](O1)OCC2[C@H]([C@@H](C([C@@H](O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -1.3927
- Num H Donors
- 9
- Num H Acceptors
- 15
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.1490
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Luteolin-7-Rutinoside
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Luteolin-7-Rutinoside
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Luteolin-7-rutinoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Luteolin-7-rutinoside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Luteolin-7-rutinoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Luteolin-7-rutinoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
荠菜
Role
TCM_name
Source
TCMBank
Preferred
No
Name
JI CAI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Shepherdspurse
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:176375
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:176375
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPK12110658
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMPK12110658
Role
alias
Source
HERB_v2
Preferred
No
Name
Luteolin 7-rutinoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
Luteolin 7-rutinoside
Role
alias
Source
HERB_v2
Preferred
No
Name
Luteolin rutinoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
Luteolin rutinoside
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL3424344
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL3424344
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
荠菜JI CAIShepherdspurse2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-oneCHEBI:176375LMPK12110658Luteolin 7-rutinosideLuteolin rutinosideSCHEMBL3424344
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN033860
Npass
NPC298006
Tcmid
13142
Sym Map
SMIT25156
Tcm Id
20339
Pub Chem
44258082
Tcmbank
TCMBANKIN044210
Etcm Ingredient
Luteolin-7-rutinoside
Itcmdb Generated
ITX-INGREDIENT-38A3215870F3ITX-INGREDIENT-DC5EEB89954E
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C27H30O15/c1-9-20(32)22(34)24(36)26(39-9)38-8-18-21(33)23(35)25(37)27(42-18)40-11-5-14(30)19-15(31)7-16(41-17(19)6-11)10-2-3-12(28)13(29)4-10/h2-7,9,18,20-30,32-37H,8H2,1H3/t9?,18?,20-,21+,22-,23-,24?,25?,26+,27+/m0/s1
Mol Wt
594.5220000000006
Mol Log P
-1.3927
Version
v2
In Ch Ikey
MGYBYJXAXUBTQF-TWJLCPPASA-N
Suppress
0
Tcm Name
荠菜
Tcm Name2
JI CAI
Mol2 Path
/TCM_database/2007_3d_all/13149.mol2
Reference
6, 4530
Num Hdonors
9
Tcm Name En
Shepherdspurse
Drug Likeness
0.149
Num Hacceptors
15
Isomeric Smiles
CC1[C@@H]([C@@H](C([C@@H](O1)OCC2[C@H]([C@@H](C([C@@H](O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O)O
Canonical Smiles
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O)O
Herb Alias Names
Luteolin 7-rutinosideLuteolin rutinosideSCHEMBL3424344CHEBI:176375LMPK121106582-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
Molecular Weight
594.160
Molecular Weight
594.5 g/mol
Molecular Formula
C27H30O15
Molecular Formula
C27H30O15
Num Rotatable Bonds
6
Fda Maximum Daily Dose (Fdamdd)
0.014
Quantitative Estimate Of Drug Likeness（Qed）
0.149