Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 5Links: 8
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 14770
- Core Entity Id
- 19581
- Source Entity Count
- 1
- Preferred Name
- Citrin
- Name En
- Pubchem Id
- 5293655
- Smiles Canonical
- CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O
- Molecular Formula
- C27H30O16
- Molecular Weight
- 610.5000
- Inchikey
- IKGXIBQEEMLURG-UHFFFAOYSA-N
- Inchi
- InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -1.3000
- Num H Donors
- 10
- Num H Acceptors
- 16
- Num Rotatable Bonds
- 6
- Drug Likeness
- Polar Surface Area
- 266.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Citrin
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Citrin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Citrin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Citrin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
citrin
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN020986
Tcmid
34629
Sym Map
SMIT23022
Tcmbank
TCMBANKIN026514
Itcmdb Generated
ITX-INGREDIENT-2A3D0FF8F02C
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v2
Suppress
0