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
- 2383
- Core Entity Id
- 5836
- Source Entity Count
- 1
- Preferred Name
- 2''-o-galloylorientin
- Name En
- Pubchem Id
- 10897308
- Smiles Canonical
- C1=CC(=C(C=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)O
- Molecular Formula
- C28H24O15
- Molecular Weight
- 600.4850
- Inchikey
- KVXWWRLZEGVWRD-OQHNQDISSA-N
- Inchi
- InChI=1S/C28H24O15/c29-8-19-23(38)24(39)27(43-28(40)10-4-16(35)22(37)17(36)5-10)26(42-19)21-14(33)6-13(32)20-15(34)7-18(41-25(20)21)9-1-2-11(30)12(31)3-9/h1-7,19,23-24,26-27,29-33,35-39H,8H2/t19-,23-,24+,26+,27-/m1/s1
- Isomeric Smiles
- C1=CC(=C(C=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)O
- Cas Id
- Ob Score
- Mol Logp
- 0.7788
- Num H Donors
- 10
- Num H Acceptors
- 15
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.1120
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2''-O-Galloylorientin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2''-o-galloylorientin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2''-o-galloylorientin
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
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
HBIN006245
Npass
NPC271502
Tcmid
8112
Pub Chem
10897308
Tcmbank
TCMBANKIN041410
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C28H24O15/c29-8-19-23(38)24(39)27(43-28(40)10-4-16(35)22(37)17(36)5-10)26(42-19)21-14(33)6-13(32)20-15(34)7-18(41-25(20)21)9-1-2-11(30)12(31)3-9/h1-7,19,23-24,26-27,29-33,35-39H,8H2/t19-,23-,24+,26+,27-/m1/s1
Mol Wt
600.4850000000006
Mol Log P
0.7788000000000026
In Ch Ikey
KVXWWRLZEGVWRD-OQHNQDISSA-N
Tcm Name
肾叶天竺葵
Tcm Name2
SHEN YE TIAN ZHU KUI
Mol2 Path
/TCM_database/2007_3d_all/08113.mol2
Reference
1994
Num Hdonors
10
Tcm Name En
Reniform Pelargonium*
Drug Likeness
0.112
Num Hacceptors
15
Isomeric Smiles
C1=CC(=C(C=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)O
Canonical Smiles
C1=CC(=C(C=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)O
Molecular Weight
600.5 g/mol
Molecular Formula
C28H24O15
Num Rotatable Bonds
5