Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Reference: 11Target: 1Links: 15
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 35779
- Core Entity Id
- 42957
- Source Entity Count
- 1
- Preferred Name
- Trilobatin
- Name En
- Pubchem Id
- 6451798
- Smiles Canonical
- C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O)OC3C(C(C(C(O3)CO)O)O)O)O)O
- Molecular Formula
- C21H24O10
- Molecular Weight
- 436.4130
- Inchikey
- GSTCPEBQYSOEHV-QNDFHXLGSA-N
- Inchi
- InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-12-7-14(25)17(15(26)8-12)13(24)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-23,25-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1
- Isomeric Smiles
- C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -0.2024
- Num H Donors
- 7
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 7
- Drug Likeness
- 0.2880
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Trilobatin
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Trilobatin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Trilobatin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Trilobatin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Trilobatin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Trilobatin
Role
preferred
Source
ETCM_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
4192-90-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
4192-90-9
Role
alias
Source
HERB_v2
Preferred
No
Name
PHLORIZIN, P-
Role
alias
Source
itcmdb_public
Preferred
No
Name
PHLORIZIN, P-
Role
alias
Source
HERB_v2
Preferred
No
Name
PRUNIN DIHYDROCHALCONE
Role
alias
Source
itcmdb_public
Preferred
No
Name
PRUNIN DIHYDROCHALCONE
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-23298I791N
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-23298I791N
Role
alias
Source
HERB_v2
Preferred
No
Name
p-Phloridzin
Role
alias
Source
itcmdb_public
Preferred
No
Name
p-Phloridzin
Role
alias
Source
HERB_v2
Preferred
No
Name
p-Phlorizin
Role
alias
Source
itcmdb_public
Preferred
No
Name
p-Phlorizin
Role
alias
Source
HERB_v2
Preferred
No
Name
phloretin-4'-O-glucoside
Role
alias
Source
HERB_v2
Preferred
No
Name
phloretin-4'-O-glucoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
phloretin-4'-beta-D-glucoside
Role
alias
Source
HERB_v2
Preferred
No
Name
phloretin-4'-beta-D-glucoside
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 Leaf4192-90-9PHLORIZIN, P-PRUNIN DIHYDROCHALCONEUNII-23298I791Np-Phloridzinp-Phlorizinphloretin-4'-O-glucosidephloretin-4'-beta-D-glucoside
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN047106
Npass
NPC121001
Tcmid
21862
Sym Map
SMIT27320
Pub Chem
6451798
Tcmbank
TCMBANKIN043958
Etcm Ingredient
Trilobatin
Itcmdb Generated
ITX-INGREDIENT-29E9F17AB686ITX-INGREDIENT-FE90DE9ECB99
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-12-7-14(25)17(15(26)8-12)13(24)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-23,25-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1
Mol Wt
436.4130000000001
Mol Log P
-0.2024000000000004
Version
v2
In Ch Ikey
GSTCPEBQYSOEHV-QNDFHXLGSA-N
Suppress
0
Tcm Name
多穗石柯叶
Tcm Name2
DUO SUI SHI KE YE
Mol2 Path
/TCM_database/2007_3d_all/21878.mol2
Reference
660
Num Hdonors
7
Tcm Name En
Manyspike Tanoak Leaf
Drug Likeness
0.288
Num Hacceptors
10
Isomeric Smiles
C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O
Canonical Smiles
C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O)OC3C(C(C(C(O3)CO)O)O)O)O)O
Herb Alias Names
4192-90-9p-Phlorizinp-Phloridzinphloretin-4'-O-glucosidePRUNIN DIHYDROCHALCONEphloretin-4'-beta-D-glucosideUNII-23298I791NPhloretin-4-O-glucosidePHLORIZIN, P-
Molecular Weight
436.140
Molecular Weight
436.4 g/mol
Molecular Formula
C21H24O10
Molecular Formula
C21H24O10
Num Rotatable Bonds
7
Fda Maximum Daily Dose (Fdamdd)
0.009
Quantitative Estimate Of Drug Likeness（Qed）
0.288