Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 4Links: 9
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 39876
- Core Entity Id
- 77246
- Source Entity Count
- 1
- Preferred Name
- (1r,2s,4r,8r)-p-menthane-1,2,8,9-tetrol
- Name En
- Pubchem Id
- 92467558
- Smiles Canonical
- CC1(CCC(CC1O)C(C)(CO)O)O
- Molecular Formula
- C10H20O4
- Molecular Weight
- 204.2660
- Inchikey
- QEFNQQRVZDFDIJ-RGOKHQFPSA-N
- Inchi
- InChI=1S/C10H20O4/c1-9(13)4-3-7(5-8(9)12)10(2,14)6-11/h7-8,11-14H,3-6H2,1-2H3/t7-,8+,9-,10+/m1/s1
- Isomeric Smiles
- C[C@]1(CC[C@H](C[C@@H]1O)[C@](C)(CO)O)O
- Cas Id
- Ob Score
- Mol Logp
- -0.3583
- Num H Donors
- 4
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.4950
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(1R,2S,4R,8R)-p-Menthane-1,2,8,9-tetrol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(1r,2s,4r,8r)-p-menthane-1,2,8,9-tetrol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(1r,2s,4r,8r)-p-menthane-1,2,8,9-tetrol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(1r,2s,4r,8r)-p-menthane-1,2,8,9-tetrol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN003080
Npass
NPC73764
Tcmid
13725
Pub Chem
92467558
Tcmbank
TCMBANKIN038341
Etcm Ingredient
(1R,2S,4R,8R)-p-Menthane-1,2,8,9-tetrol
Itcmdb Generated
ITX-INGREDIENT-9CD03B60CE4F
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C10H20O4/c1-9(13)4-3-7(5-8(9)12)10(2,14)6-11/h7-8,11-14H,3-6H2,1-2H3/t7-,8+,9-,10+/m1/s1
Mol Wt
204.266
Smiles
CC1(CCC(CC1O)C(C)(CO)O)O
Mol Log P
-0.3583000000000001
In Ch Ikey
QEFNQQRVZDFDIJ-RGOKHQFPSA-N
Mol2 Path
/TCM_database/2007_3d_all/13732.mol2
Reference
4153
Num Hdonors
4
Drug Likeness
0.495
Num Hacceptors
4
Isomeric Smiles
C[C@]1(CC[C@H](C[C@@H]1O)[C@](C)(CO)O)O
Canonical Smiles
CC1(CCC(CC1O)C(C)(CO)O)O
Molecular Weight
204.140
Molecular Weight
204.26 g/mol
Molecular Formula
C10H20O4
Molecular Formula
C10H20O4
Molecular Formula
C10H20O4
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.025
Quantitative Estimate Of Drug Likeness（Qed）
0.495