Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 31714
- Core Entity Id
- 38439
- Source Entity Count
- 1
- Preferred Name
- Rel-(1s,2r,4r,8s)-p-menthane-1,2,8,9-tetrol
- Name En
- Pubchem Id
- 10867427
- Smiles Canonical
- CC1(CCC(CC1O)C(C)(CO)O)O
- Molecular Formula
- C10H20O4
- Molecular Weight
- 204.2660
- Inchikey
- QEFNQQRVZDFDIJ-IMSYWVGJSA-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
Rel-(1s,2r,4r,8s)-p-menthane-1,2,8,9-tetrol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Rel-(1s,2r,4r,8s)-p-menthane-1,2,8,9-tetrol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
rel-(1S,2R,4R,8S)-p-Menthane-1,2,8,9-tetrol
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.
Herb
HBIN042054
Npass
NPC129940
Tcmid
13727
Pub Chem
10867427
Tcmbank
TCMBANKIN025520
Itcmdb Generated
ITX-INGREDIENT-789C4C42A424
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
Mol Log P
-0.3583000000000001
In Ch Ikey
QEFNQQRVZDFDIJ-IMSYWVGJSA-N
Tcm Name
葛缕子
Tcm Name2
GE LU ZI
Mol2 Path
/TCM_database/2007_3d_all/13734.mol2
Reference
4153
Num Hdonors
4
Tcm Name En
Caraway
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 Formula
C10H20O4
Num Rotatable Bonds
2