Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 2384
- Core Entity Id
- 5837
- Source Entity Count
- 1
- Preferred Name
- 2''-o-galloylvitexin
- Name En
- Pubchem Id
- 11813924
- Smiles Canonical
- C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4C(C(C(C(O4)CO)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)O
- Molecular Formula
- C28H24O14
- Molecular Weight
- 584.4860
- Inchikey
- JIWNHMGTDGWOEF-OQHNQDISSA-N
- Inchi
- InChI=1S/C28H24O14/c29-9-19-23(37)24(38)27(42-28(39)11-5-16(34)22(36)17(35)6-11)26(41-19)21-14(32)7-13(31)20-15(33)8-18(40-25(20)21)10-1-3-12(30)4-2-10/h1-8,19,23-24,26-27,29-32,34-38H,9H2/t19-,23-,24+,26+,27-/m1/s1
- Isomeric Smiles
- C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)OC(=O)C5=CC(=C(C(=C5)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-Galloylvitexin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2''-o-galloylvitexin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2''-o-galloylvitexin
Role
preferred
Source
HERB_v2
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
Aliases
Additional names normalized into the restored final schema.
肾叶天竺葵SHEN YE TIAN ZHU KUIReniform Pelargonium*
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN006246
Npass
NPC17412
Tcmid
8118
Pub Chem
11813924
Tcmbank
TCMBANKIN043514
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C28H24O14/c29-9-19-23(37)24(38)27(42-28(39)11-5-16(34)22(36)17(35)6-11)26(41-19)21-14(32)7-13(31)20-15(33)8-18(40-25(20)21)10-1-3-12(30)4-2-10/h1-8,19,23-24,26-27,29-32,34-38H,9H2/t19-,23-,24+,26+,27-/m1/s1
Mol Wt
584.4860000000006
Mol Log P
1.073200000000002
In Ch Ikey
JIWNHMGTDGWOEF-OQHNQDISSA-N
Tcm Name
肾叶天竺葵
Tcm Name2
SHEN YE TIAN ZHU KUI
Mol2 Path
/TCM_database/2007_3d_all/08119.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)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)O
Canonical Smiles
C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4C(C(C(C(O4)CO)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)O
Molecular Weight
584.5 g/mol
Molecular Formula
C28H24O14
Num Rotatable Bonds
5