Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 13Links: 14
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 2573
- Core Entity Id
- 6047
- Source Entity Count
- 1
- Preferred Name
- (2r,3s)-2-(3,5-dihydroxyphenyl)chroman-3,5,7-triol
- Name En
- Pubchem Id
- 92468387
- Smiles Canonical
- C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=CC(=C3)O)O)O
- Molecular Formula
- C15H14O6
- Molecular Weight
- 290.2710
- Inchikey
- MKXNQWPXEHIMRX-DZGCQCFKSA-N
- Inchi
- InChI=1S/C15H14O6/c16-8-1-7(2-9(17)3-8)15-13(20)6-11-12(19)4-10(18)5-14(11)21-15/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
- Isomeric Smiles
- C1[C@@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=CC(=C3)O)O)O
- Cas Id
- Ob Score
- 58.2490
- Mol Logp
- 1.5461
- Num H Donors
- 5
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5450
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(2R,3S)-2-(3,5-Dihydroxyphenyl)Chroman-3,5,7-Triol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(2R,3S)-2-(3,5-Dihydroxyphenyl)Chroman-3,5,7-Triol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(2R,3S)-2-(3,5-dihydroxyphenyl)chroman-3,5,7-triol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(2R,3S)-2-(3,5-dihydroxyphenyl)chroman-3,5,7-triol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2r,3s)-2-(3,5-dihydroxyphenyl)chroman-3,5,7-triol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(2r,3s)-2-(3,5-dihydroxyphenyl)chroman-3,5,7-triol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN006462
Tcmsp
MOL004571
Sym Map
SMIT06465
Pub Chem
92468387
Tcmbank
TCMBANKIN022213
Etcm Ingredient
(2R,3S)-2-(3,5-dihydroxyphenyl)chroman-3,5,7-triol
Itcmdb Generated
ITX-INGREDIENT-8DBE90ED0023
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H14O6/c16-8-1-7(2-9(17)3-8)15-13(20)6-11-12(19)4-10(18)5-14(11)21-15/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
Mol Wt
290.271
Mol Log P
1.546100000000001
Version
v1,v2
In Ch Ikey
MKXNQWPXEHIMRX-DZGCQCFKSA-N
Ob Score
58.24958.2492046858.249205
Suppress
0
Num Hdonors
5
Drug Likeness
0.545
Num Hacceptors
6
Isomeric Smiles
C1[C@@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=CC(=C3)O)O)O
Molecule Weight
290.29
Canonical Smiles
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=CC(=C3)O)O)O
Molecular Weight
290.080
Molecular Weight
290.29
Molecular Formula
C15H14O6
Molecular Formula
C15H14O6
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.841
Quantitative Estimate Of Drug Likeness（Qed）
0.545