IngredientID 48249
(1s,2s,4r,8r)-p-menthane-1,2,8,9-tetrol 2-o-β-d-glucopyranoside
C16H30O9
Relationship Network
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Herb: 1Ingredient: 1Target: 17Links: 25
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 48249
- Core Entity Id
- 91260
- Source Entity Count
- 1
- Preferred Name
- (1s,2s,4r,8r)-p-menthane-1,2,8,9-tetrol 2-o-β-d-glucopyranoside
- Name En
- Pubchem Id
- 85309705
- Smiles Canonical
- CC(O)(CO)C1CCC(C)(O)C(OC2OC(CO)C(O)C(O)C2O)C1
- Molecular Formula
- C16H30O9
- Molecular Weight
- 366.1900
- Inchikey
- HKSOQIVAOUMKMF-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H30O9/c1-15(22)4-3-8(16(2,23)7-18)5-10(15)25-14-13(21)12(20)11(19)9(6-17)24-14/h8-14,17-23H,3-7H2,1-2H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -2.4000
- Num H Donors
- 7
- Num H Acceptors
- 9
- Num Rotatable Bonds
- 5
- Drug Likeness
- Polar Surface Area
- 160.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(1S,2S,4R,8R)-p-Menthane-1,2,8,9-tetrol 2-O-β-D-glucopyranoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(1s,2s,4r,8r)-p-menthane-1,2,8,9-tetrol 2-o-β-d-glucopyranoside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
葛缕子
Role
TCM_name
Source
TCMBank
Preferred
No
Name
GE LU ZI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Caraway
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
葛缕子GE LU ZICaraway
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN027833TCMBANKIN059584
Etcm Ingredient
(1S,2S,4R,8R)-p-Menthane-1,2,8,9-tetrol 2-O-β-D-glucopyranoside
Itcmdb Generated
ITX-INGREDIENT-CE145C91C64CITX-INGREDIENT-F3F037AA6623
Attributes
Merged source attributes and domain-specific metadata.
Smiles
CC1(CCC(CC1OC2C(C(C(C(O2)CO)O)O)O)C(C)(CO)O)O
Tcm Name
葛缕子
Tcm Name2
GE LU ZI
Mol2 Path
/TCM_database/2007_3d_all/13737.mol2
Reference
4153
Tcm Name En
Caraway
Molecular Weight
366.190
Molecular Formula
C16H30O9
Molecular Formula
C16H30O9
Fda Maximum Daily Dose (Fdamdd)
0.006
Quantitative Estimate Of Drug Likeness（Qed）
0.278