Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 5223
- Core Entity Id
- 8994
- Source Entity Count
- 1
- Preferred Name
- (3r,4r,6s)-3,6-dihydroxy-1-menthene
- Name En
- Pubchem Id
- 10374851
- Smiles Canonical
- CC1=CC(C(CC1O)C(C)C)O
- Molecular Formula
- C10H18O2
- Molecular Weight
- 170.2520
- Inchikey
- CDEBGVXOFDWUAF-UTLUCORTSA-N
- Inchi
- InChI=1S/C10H18O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4,6,8-12H,5H2,1-3H3/t8-,9+,10+/m1/s1
- Isomeric Smiles
- CC1=C[C@@H]([C@H](C[C@@H]1O)C(C)C)O
- Cas Id
- Ob Score
- Mol Logp
- 1.3304
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5830
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(3R,4R,6S)-3,6-Dihydroxy-1-menthene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(3r,4r,6s)-3,6-dihydroxy-1-menthene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(3r,4r,6s)-3,6-dihydroxy-1-menthene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(3r,4r,6s)-3,6-dihydroxy-1-menthene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
AKOS040762158
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040762158
Role
alias
Source
itcmdb_public
Preferred
No
Name
FS-9864
Role
alias
Source
HERB_v2
Preferred
No
Name
FS-9864
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
AKOS040762158FS-9864
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN009528
Npass
NPC203400
Tcmid
5958
Pub Chem
10374851
Tcmbank
TCMBANKIN045855
Etcm Ingredient
(3R,4R,6S)-3,6-Dihydroxy-1-menthene
Itcmdb Generated
ITX-INGREDIENT-C19A272F0C47
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C10H18O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4,6,8-12H,5H2,1-3H3/t8-,9+,10+/m1/s1
Mol Wt
170.252
Smiles
CC1=CC(C(CC1O)C(C)C)O
Mol Log P
1.3304
In Ch Ikey
CDEBGVXOFDWUAF-UTLUCORTSA-N
Mol2 Path
/TCM_database/2007_3d_all/05959.mol2
Reference
5382
Num Hdonors
2
Drug Likeness
0.583
Num Hacceptors
2
Isomeric Smiles
CC1=C[C@@H]([C@H](C[C@@H]1O)C(C)C)O
Canonical Smiles
CC1=CC(C(CC1O)C(C)C)O
Herb Alias Names
AKOS040762158FS-9864
Molecular Weight
170.130
Molecular Weight
170.25 g/mol
Molecular Formula
C10H18O2
Molecular Formula
C10H18O2
Molecular Formula
C10H18O2
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.102
Quantitative Estimate Of Drug Likeness（Qed）
0.583