Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 43298
- Core Entity Id
- 86309
- Source Entity Count
- 1
- Preferred Name
- (1s,2r,4r)-p-menth-5-ene-1,2-diol 1-o-β-d-glu-copyranoside
- Name En
- Pubchem Id
- 73088762
- Smiles Canonical
- CC(C)C1C=CC(C)(OC2OC(CO)C(O)C(O)C2O)C(O)C1
- Molecular Formula
- C16H28O7
- Molecular Weight
- 332.1800
- Inchikey
- XRDWIDJQBPMTAE-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H28O7/c1-8(2)9-4-5-16(3,11(18)6-9)23-15-14(21)13(20)12(19)10(7-17)22-15/h4-5,8-15,17-21H,6-7H2,1-3H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -0.3000
- Num H Donors
- 5
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 4
- Drug Likeness
- Polar Surface Area
- 120.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(1S,2R,4R)-p-Menth-5-ene-1,2-diol 1-O-β-D-glucopyranoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(1s,2r,4r)-p-menth-5-ene-1,2-diol 1-o-β-d-glu-copyranoside
Role
preferred
Source
TCMBank
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
(1S,2R,4R)-p-Menth-5-ene-1,2-diol 1-O-β-D-glucopyranoside
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN011020
Etcm Ingredient
(1S,2R,4R)-p-Menth-5-ene-1,2-diol 1-O-β-D-glucopyranoside
Itcmdb Generated
ITX-INGREDIENT-3DA68AFE14BD
Attributes
Merged source attributes and domain-specific metadata.
Smiles
CC(C)C1CC(C(C=C1)(C)OC2C(C(C(C(O2)CO)O)O)O)O
Molecular Weight
332.180
Molecular Formula
C16H28O7
Molecular Formula
C16H28O7
Fda Maximum Daily Dose (Fdamdd)
0.013
Quantitative Estimate Of Drug Likeness（Qed）
0.426