Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 3Links: 7
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 4544
- Core Entity Id
- 8240
- Source Entity Count
- 1
- Preferred Name
- 3-hydroxyphlorizin
- Name En
- Pubchem Id
- 102068587
- Smiles Canonical
- C1=CC(=C(C=C1CCC(=O)C2=C(C=C(C=C2OC3C(C(C(C(O3)CO)O)O)O)O)O)O)O
- Molecular Formula
- C21H24O11
- Molecular Weight
- 452.4120
- Inchikey
- AONTYURQWYQJNQ-QNDFHXLGSA-N
- Inchi
- InChI=1S/C21H24O11/c22-8-16-18(28)19(29)20(30)21(32-16)31-15-7-10(23)6-14(27)17(15)12(25)4-2-9-1-3-11(24)13(26)5-9/h1,3,5-7,16,18-24,26-30H,2,4,8H2/t16-,18-,19+,20-,21-/m1/s1
- Isomeric Smiles
- C1=CC(=C(C=C1CCC(=O)C2=C(C=C(C=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -0.4968
- Num H Donors
- 8
- Num H Acceptors
- 11
- Num Rotatable Bonds
- 7
- Drug Likeness
- 0.1990
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3-Hydroxyphlorizin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
3-Hydroxyphlorizin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3-hydroxyphlorizin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
3-hydroxyphlorizin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
多穗石柯叶
Role
TCM_name
Source
TCMBank
Preferred
No
Name
DUO SUI SHI KE YE
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Manyspike Tanoak Leaf
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
3-(3,4-dihydroxyphenyl)-1-(2,4-dihydroxy-6-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyphenyl)propan-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
3-(3,4-dihydroxyphenyl)-1-(2,4-dihydroxy-6-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyphenyl)propan-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Hydroxyphloretin 2'-O-glucoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Hydroxyphloretin 2'-O-glucoside
Role
alias
Source
HERB_v2
Preferred
No
Name
3-Hydroxyphloridzin
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Hydroxyphloridzin
Role
alias
Source
HERB_v2
Preferred
No
Name
3-hydroxy-phlorizin
Role
alias
Source
TCMBank
Preferred
No
Name
CHEMBL4209400
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL4209400
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID201341552
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID201341552
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
多穗石柯叶DUO SUI SHI KE YEManyspike Tanoak Leaf3-(3,4-dihydroxyphenyl)-1-(2,4-dihydroxy-6-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyphenyl)propan-1-one3-Hydroxyphloretin 2'-O-glucoside3-Hydroxyphloridzin3-hydroxy-phlorizinCHEMBL4209400DTXSID201341552
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN008738
Npass
NPC257963
Tcmid
1064439081
Pub Chem
102068587
Tcmbank
TCMBANKIN044304
Etcm Ingredient
3-Hydroxyphlorizin
Itcmdb Generated
ITX-INGREDIENT-C70A692F5115
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C21H24O11/c22-8-16-18(28)19(29)20(30)21(32-16)31-15-7-10(23)6-14(27)17(15)12(25)4-2-9-1-3-11(24)13(26)5-9/h1,3,5-7,16,18-24,26-30H,2,4,8H2/t16-,18-,19+,20-,21-/m1/s1
Mol Wt
452.4120000000001
Mol Log P
-0.4967999999999995
In Ch Ikey
AONTYURQWYQJNQ-QNDFHXLGSA-N
Tcm Name
多穗石柯叶
Tcm Name2
DUO SUI SHI KE YE
Mol2 Path
/TCM_database/2007_3d_all/10645.mol2
Reference
660
Num Hdonors
8
Tcm Name En
Manyspike Tanoak Leaf
Drug Likeness
0.199
Num Hacceptors
11
Isomeric Smiles
C1=CC(=C(C=C1CCC(=O)C2=C(C=C(C=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O)O
Canonical Smiles
C1=CC(=C(C=C1CCC(=O)C2=C(C=C(C=C2OC3C(C(C(C(O3)CO)O)O)O)O)O)O)O
Herb Alias Names
3-Hydroxyphloretin 2'-O-glucoside3-Hydroxyphloridzin3-(3,4-dihydroxyphenyl)-1-(2,4-dihydroxy-6-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyphenyl)propan-1-one3-(3,4-dihydroxyphenyl)-1-[2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propan-1-oneCHEMBL4209400DTXSID201341552
Molecular Weight
452.130
Molecular Formula
C21H24O11
Molecular Formula
C21H24O11
Num Rotatable Bonds
7
Fda Maximum Daily Dose (Fdamdd)
0.010
Quantitative Estimate Of Drug Likeness（Qed）
0.199