Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 41981
- Core Entity Id
- 84992
- Source Entity Count
- 1
- Preferred Name
- Yuanhuanin
- Name En
- Pubchem Id
- 179680
- Smiles Canonical
- COC1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C=C(O2)C4=CC(=C(C=C4)O)O
- Molecular Formula
- C22H22O11
- Molecular Weight
- 462.4000
- Inchikey
- ZXVSQQSRCKKYLS-MIUGBVLSSA-N
- Inchi
- InChI=1S/C22H22O11/c1-30-10-5-15-18(13(26)7-14(31-15)9-2-3-11(24)12(25)4-9)16(6-10)32-22-21(29)20(28)19(27)17(8-23)33-22/h2-7,17,19-25,27-29H,8H2,1H3/t17-,19-,20+,21-,22-/m1/s1
- Isomeric Smiles
- Cas Id
- 83133-14-6
- Ob Score
- Mol Logp
- 0.3000
- Num H Donors
- 6
- Num H Acceptors
- 11
- Num Rotatable Bonds
- 5
- Drug Likeness
- Polar Surface Area
- 175.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Yuanhuanin
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Yuanhuanin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
yuanhuanin
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Cas
83133-14-6
Herb
HBIN048665
Tcmid
23485
Sym Map
SMIT01769
Tcm Id
60
Pub Chem
179680
Tcmbank
TCMBANKIN006386
Itcmdb Generated
ITX-INGREDIENT-CEE99F753C9F
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Smiles
COC1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C=C(O2)C4=CC(=C(C=C4)O)O
Version
v1,v2
Suppress
0
Molecule Weight
462.409
Molecular Weight
462.4
Molecule Formula
C22H22O11
Molecular Formula
C22H22O11