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: 7
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 35554
- Core Entity Id
- 42709
- Source Entity Count
- 1
- Preferred Name
- Trans-sobrerol
- Name En
- Pubchem Id
- 369311
- Smiles Canonical
- CC1=CCC(CC1O)C(C)(C)O
- Molecular Formula
- C10H18O2
- Molecular Weight
- 170.2520
- Inchikey
- OMDMTHRBGUBUCO-BDAKNGLRSA-N
- Inchi
- InChI=1S/C10H18O2/c1-7-4-5-8(6-9(7)11)10(2,3)12/h4,8-9,11-12H,5-6H2,1-3H3/t8-,9+/m1/s1
- Isomeric Smiles
- CC1=CC[C@H](C[C@@H]1O)C(C)(C)O
- Cas Id
- 42370-41-2
- Ob Score
- 47.3119
- Mol Logp
- 1.4745
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5850
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(-)-trans-sobrerol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Trans-Sobrerol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Trans-sobrerol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Trans-sobrerol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
trans-Sobrerol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(1S,5R)-5-(1-hydroxy-1-methyl-ethyl)-2-methyl-cyclohex-2-en-1-ol
Role
alias
Source
TCMBank
Preferred
No
Name
(1S,5R)-5-(1-hydroxy-1-methylethyl)-2-methyl-1-cyclohex-2-enol
Role
alias
Source
TCMBank
Preferred
No
Name
(1S,5R)-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1S,5R)-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-ol
Role
alias
Source
TCMBank
Preferred
No
Name
(1S,5R)-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
42370-41-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
42370-41-2
Role
alias
Source
HERB_v2
Preferred
No
Name
71697-84-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
71697-84-2
Role
alias
Source
HERB_v2
Preferred
No
Name
7WJQ6A6U4W
Role
alias
Source
HERB_v2
Preferred
No
Name
7WJQ6A6U4W
Role
alias
Source
itcmdb_public
Preferred
No
Name
AI0NX02O35
Role
alias
Source
itcmdb_public
Preferred
No
Name
AI0NX02O35
Role
alias
Source
HERB_v2
Preferred
No
Name
Lysmucol
Role
alias
Source
HERB_v2
Preferred
No
Name
Lysmucol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Sobrepin
Role
alias
Source
HERB_v2
Preferred
No
Name
Sobrepin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Sobrerol, (-)-trans-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Sobrerol, (-)-trans-
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-7WJQ6A6U4W
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-7WJQ6A6U4W
Role
alias
Source
HERB_v2
Preferred
No
Name
ZINC00407097
Role
alias
Source
TCMBank
Preferred
No
Name
p-Menth-6-en-2,8-diol, trans
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(-)-trans-sobrerol(1S,5R)-5-(1-hydroxy-1-methyl-ethyl)-2-methyl-cyclohex-2-en-1-ol(1S,5R)-5-(1-hydroxy-1-methylethyl)-2-methyl-1-cyclohex-2-enol(1S,5R)-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-ol42370-41-271697-84-27WJQ6A6U4WAI0NX02O35LysmucolSobrepinSobrerol, (-)-trans-UNII-7WJQ6A6U4WZINC00407097p-Menth-6-en-2,8-diol, trans
Cross References
Trusted external identifiers retained for this final record.
Cas
42370-41-2
Herb
HBIN046839
Tcmsp
MOL001258
Sym Map
SMIT03705
Pub Chem
36931185449885449991463
Tcmbank
TCMBANKIN014613
Etcm Ingredient
(-)-trans-sobrerol
Itcmdb Generated
ITX-INGREDIENT-0AF12741E7A5
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C10H18O2/c1-7-4-5-8(6-9(7)11)10(2,3)12/h4,8-9,11-12H,5-6H2,1-3H3/t8-,9+/m1/s1
Mol Wt
170.252
Cas Id
42370-41-2
Smiles
CC1=CCC(CC1O)C(C)(C)O
Mol Log P
1.4745
Version
v1,v2
In Ch Ikey
OMDMTHRBGUBUCO-BDAKNGLRSA-N
Ob Score
47.311857647.31185847.312
Suppress
0
Num Hdonors
2
Drug Likeness
0.585
Num Hacceptors
2
Isomeric Smiles
CC1=CC[C@H](C[C@@H]1O)C(C)(C)O
Molecule Weight
170.28
Canonical Smiles
CC1=CCC(CC1O)C(C)(C)O
Herb Alias Names
42370-41-2Sobrerol, (-)-trans-UNII-7WJQ6A6U4W7WJQ6A6U4W71697-84-2SobrepinAI0NX02O35(1S,5R)-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-olLysmucol
Molecular Weight
170.130
Molecular Weight
170.25
Molecular Formula
C10H18O2
Molecular Formula
C10H18O2
Molecular Formula
C10H18O2
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.961
Quantitative Estimate Of Drug Likeness（Qed）
0.585