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
- 64704
- Core Entity Id
- 111722
- Source Entity Count
- 1
- Preferred Name
- Salvianolic Acid I
- Name En
- Pubchem Id
- 162890634
- Smiles Canonical
- C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)OC(=CC3=CC(=C(C=C3)O)O)C(=O)O)O)O)O
- Molecular Formula
- C27H22O12
- Molecular Weight
- 538.1100
- Inchikey
- MZSGWZGPESCJAN-MOBFUUNNSA-N
- Inchi
- InChI=1S/C27H22O12/c28-17-5-1-15(10-19(17)30)12-23(26(34)35)38-22-7-3-14(9-21(22)32)4-8-25(33)39-24(27(36)37)13-16-2-6-18(29)20(31)11-16/h1-12,24,28-32H,13H2,(H,34,35)(H,36,37)/b8-4+,23-12+/t24-/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.7000
- Num H Donors
- 7
- Num H Acceptors
- 12
- Num Rotatable Bonds
- 11
- Drug Likeness
- Polar Surface Area
- 211.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Salvianolic Acid I
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Salvianolic Acid I
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Salvianolic acid I
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT26622
Etcm Ingredient
Salvianolic acid I
Itcmdb Generated
ITX-INGREDIENT-179F431ECD7FITX-INGREDIENT-404134DC4723
Attributes
Merged source attributes and domain-specific metadata.
Type
Metabolic ingredients
Version
v2
Suppress
0
Molecular Weight
538.110
Molecular Formula
C27H22O12
Fda Maximum Daily Dose (Fdamdd)
0.089
Quantitative Estimate Of Drug Likeness（Qed）
0.086