Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 2382
- Core Entity Id
- 5835
- Source Entity Count
- 1
- Preferred Name
- 2''-o-galloylisovitexin
- Name En
- Pubchem Id
- 44257729
- Smiles Canonical
- C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4C(C(C(C(O4)COC(=O)C5=CC(=C(C(=C5)O)O)O)O)O)O)O)O
- Molecular Formula
- C28H24O14
- Molecular Weight
- 584.4860
- Inchikey
- VHHCLIKWPGQXHO-ZRJKONDKSA-N
- Inchi
- InChI=1S/C28H24O14/c29-12-3-1-10(2-4-12)17-7-13(30)20-18(41-17)8-14(31)21(24(20)36)27-26(38)25(37)23(35)19(42-27)9-40-28(39)11-5-15(32)22(34)16(33)6-11/h1-8,19,23,25-27,29,31-38H,9H2/t19?,23-,25+,26?,27+/m1/s1
- Isomeric Smiles
- C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)[C@H]4C([C@H]([C@@H](C(O4)COC(=O)C5=CC(=C(C(=C5)O)O)O)O)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 1.0732
- Num H Donors
- 9
- Num H Acceptors
- 14
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.1180
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2''-O-Galloylisovitexin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2''-o-galloylisovitexin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2''-o-galloylisovitexin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
肾叶天竺葵
Role
TCM_name
Source
TCMBank
Preferred
No
Name
SHEN YE TIAN ZHU KUI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Reniform Pelargonium*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
CHEBI:188108
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:188108
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMPK12110273
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMPK12110273
Role
alias
Source
HERB_v2
Preferred
No
Name
[(3S,4R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-6-yl]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
[(3S,4R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-6-yl]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
肾叶天竺葵SHEN YE TIAN ZHU KUIReniform Pelargonium*CHEBI:188108LMPK12110273[(3S,4R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-6-yl]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN006244
Npass
NPC286330
Tcmid
8111
Pub Chem
44257729
Tcmbank
TCMBANKIN038651
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C28H24O14/c29-12-3-1-10(2-4-12)17-7-13(30)20-18(41-17)8-14(31)21(24(20)36)27-26(38)25(37)23(35)19(42-27)9-40-28(39)11-5-15(32)22(34)16(33)6-11/h1-8,19,23,25-27,29,31-38H,9H2/t19?,23-,25+,26?,27+/m1/s1
Mol Wt
584.4860000000006
Mol Log P
1.073200000000003
In Ch Ikey
VHHCLIKWPGQXHO-ZRJKONDKSA-N
Tcm Name
肾叶天竺葵
Tcm Name2
SHEN YE TIAN ZHU KUI
Mol2 Path
/TCM_database/2007_3d_all/08112.mol2
Reference
1994
Num Hdonors
9
Tcm Name En
Reniform Pelargonium*
Drug Likeness
0.118
Num Hacceptors
14
Isomeric Smiles
C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)[C@H]4C([C@H]([C@@H](C(O4)COC(=O)C5=CC(=C(C(=C5)O)O)O)O)O)O)O)O
Canonical Smiles
C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4C(C(C(C(O4)COC(=O)C5=CC(=C(C(=C5)O)O)O)O)O)O)O)O
Herb Alias Names
CHEBI:188108LMPK12110273[(3S,4R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-6-yl]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Molecular Weight
584.5 g/mol
Molecular Formula
C28H24O14
Num Rotatable Bonds
5