Relationship Network
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Herb: 2Ingredient: 1Target: 8Links: 10
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 34885
- Core Entity Id
- 41962
- Source Entity Count
- 1
- Preferred Name
- Teresantalol
- Name En
- Pubchem Id
- 578221
- Smiles Canonical
- CC1(C2CC3C1(C3C2)C)CO
- Molecular Formula
- C10H16O
- Molecular Weight
- 152.2370
- Inchikey
- ZWUWJJHLJNLVDD-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H16O/c1-9(5-11)6-3-7-8(4-6)10(7,9)2/h6-8,11H,3-5H2,1-2H3
- Isomeric Smiles
- CC1(C2CC3C1(C3C2)C)CO
- Cas Id
- Ob Score
- Mol Logp
- 1.6609
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6060
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Teresantalol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Teresantalol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Teresantalol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Teresantalol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Teresantalol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Teresantalol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
檀香
Role
TCM_name
Source
TCMBank
Preferred
No
Name
TAN XIANG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Sandalwood
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)methanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)methanol
Role
alias
Source
HERB_v2
Preferred
No
Name
(2,3-dimethyltricyclo(2.2.1.0^(2,6))heptan-3-yl)methanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
10-hydroxytricyclene
Role
alias
Source
TCMBank
Preferred
No
Name
10-hydroxytricyclene
Role
alias
Source
SymMap_v2
Preferred
No
Name
2,3-Dimethyltricyclo[2.2.1.02,6]heptane-3-methanol
Role
alias
Source
SymMap_v2
Preferred
No
Name
2,3-Dimethyltricyclo[2.2.1.02,6]heptane-3-methanol
Role
alias
Source
TCMBank
Preferred
No
Name
2,3-Dimethyltricyclo[2.2.1.02,6]heptane-3-methanol, 9CI
Role
alias
Source
SymMap_v2
Preferred
No
Name
2,3-Dimethyltricyclo[2.2.1.02,6]heptane-3-methanol, 9CI
Role
alias
Source
TCMBank
Preferred
No
Name
29550-55-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
29550-55-8
Role
alias
Source
TCMBank
Preferred
No
Name
29550-55-8
Role
alias
Source
SymMap_v2
Preferred
No
Name
29550-55-8
Role
alias
Source
HERB_v2
Preferred
No
Name
AC1LB8D4
Role
alias
Source
TCMBank
Preferred
No
Name
AC1LB8D4
Role
alias
Source
SymMap_v2
Preferred
No
Name
AKOS024262936
Role
alias
Source
SymMap_v2
Preferred
No
Name
AKOS024262936
Role
alias
Source
TCMBank
Preferred
No
Name
CTK8A1990
Role
alias
Source
TCMBank
Preferred
No
Name
CTK8A1990
Role
alias
Source
SymMap_v2
Preferred
No
Name
Teresantalol
Role
alias
Source
TCMBank
Preferred
No
Name
Teresantalol
Role
alias
Source
SymMap_v2
Preferred
No
Name
Tricyclo(2.2.1.0(2,6))heptane-3-methanol, 2,3-dimethyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Tricyclo[2.2.1.0(2,6)]heptane-3-methanol, 2,3-dimethyl-
Role
alias
Source
SymMap_v2
Preferred
No
Name
Tricyclo[2.2.1.0(2,6)]heptane-3-methanol, 2,3-dimethyl-
Role
alias
Source
TCMBank
Preferred
No
Name
Tricyclo[2.2.1.0(2,6)]heptane-3-methanol, 2,3-dimethyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Tricyclo[2.2.1.0(2,6)]heptane-3-methanol, 2,3-dimethyl-, stereoisomer
Role
alias
Source
SymMap_v2
Preferred
No
Name
Tricyclo[2.2.1.0(2,6)]heptane-3-methanol, 2,3-dimethyl-, stereoisomer
Role
alias
Source
TCMBank
Preferred
No
Name
Tricyclo[2.2.1.0(2,6)]heptane-3-methanol, 2,3-dimethyl-, stereoisomer
Role
alias
Source
itcmdb_public
Preferred
No
Name
Tricyclo[2.2.1.0(2,6)]heptane-3-methanol, 2,3-dimethyl-, stereoisomer
Role
alias
Source
HERB_v2
Preferred
No
Name
ZWUWJJHLJNLVDD-UHFFFAOYSA-N
Role
alias
Source
TCMBank
Preferred
No
Name
ZWUWJJHLJNLVDD-UHFFFAOYSA-N
Role
alias
Source
SymMap_v2
Preferred
No
Name
{2,3-DIMETHYLTRICYCLO[2.2.1.0(2),?]HEPTAN-3-YL}METHANOL
Role
alias
Source
TCMBank
Preferred
No
Name
{2,3-DIMETHYLTRICYCLO[2.2.1.0(2),?]HEPTAN-3-YL}METHANOL
Role
alias
Source
SymMap_v2
Preferred
No
Name
{2,3-dimethyltricyclo[2.2.1.0
Role
alias
Source
TCMBank
Preferred
No
Name
{2,3-dimethyltricyclo[2.2.1.0;{2,6}]heptan-3-yl}methanol
Role
alias
Source
SymMap_v2
Preferred
No
Name
{2,3-dimethyltricyclo[2.2.1.0^{2,6}]heptan-3-yl}methanol
Role
alias
Source
HERB_v2
Preferred
No
Name
{2,6}]heptan-3-yl}methanol
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
檀香TAN XIANGSandalwood(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)methanol(2,3-dimethyltricyclo(2.2.1.0^(2,6))heptan-3-yl)methanol10-hydroxytricyclene2,3-Dimethyltricyclo[2.2.1.02,6]heptane-3-methanol2,3-Dimethyltricyclo[2.2.1.02,6]heptane-3-methanol, 9CI29550-55-8AC1LB8D4AKOS024262936CTK8A1990Tricyclo(2.2.1.0(2,6))heptane-3-methanol, 2,3-dimethyl-Tricyclo[2.2.1.0(2,6)]heptane-3-methanol, 2,3-dimethyl-Tricyclo[2.2.1.0(2,6)]heptane-3-methanol, 2,3-dimethyl-, stereoisomerZWUWJJHLJNLVDD-UHFFFAOYSA-N{2,3-DIMETHYLTRICYCLO[2.2.1.0(2),?]HEPTAN-3-YL}METHANOL{2,3-dimethyltricyclo[2.2.1.0{2,3-dimethyltricyclo[2.2.1.0;{2,6}]heptan-3-yl}methanol{2,3-dimethyltricyclo[2.2.1.0^{2,6}]heptan-3-yl}methanol{2,6}]heptan-3-yl}methanol
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN045942
Npass
NPC124872
Tcmid
20957
Sym Map
SMIT17866
Tcm Id
568
Pub Chem
578221
Tcmbank
TCMBANKIN042260
Etcm Ingredient
Teresantalol
Itcmdb Generated
ITX-INGREDIENT-3D3B0A874832
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C10H16O/c1-9(5-11)6-3-7-8(4-6)10(7,9)2/h6-8,11H,3-5H2,1-2H3
Mol Wt
152.237
Mol Log P
1.6609
Version
v1,v2
In Ch Ikey
ZWUWJJHLJNLVDD-UHFFFAOYSA-N
Suppress
0
Tcm Name
檀香
Tcm Name2
TAN XIANG
Mol2 Path
/TCM_database/2007_3d_all/20973.mol2
Reference
660
Num Hdonors
1
Tcm Name En
Sandalwood
Drug Likeness
0.606
Num Hacceptors
1
Isomeric Smiles
CC1(C2CC3C1(C3C2)C)CO
Canonical Smiles
CC1(C2CC3C1(C3C2)C)CO
Herb Alias Names
29550-55-8(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)methanolTricyclo[2.2.1.0(2,6)]heptane-3-methanol, 2,3-dimethyl-{2,3-dimethyltricyclo[2.2.1.0^{2,6}]heptan-3-yl}methanolTricyclo[2.2.1.0(2,6)]heptane-3-methanol, 2,3-dimethyl-, stereoisomer(2,3-dimethyl-3-tricyclo(2.2.1.02,6)heptanyl)methanol(2,3-dimethyltricyclo(2.2.1.0^(2,6))heptan-3-yl)methanolTricyclo(2.2.1.0(2,6))heptane-3-methanol, 2,3-dimethyl-Tricyclo(2.2.1.0(2,6))heptane-3-methanol, 2,3-dimethyl-, stereoisomer
Molecular Weight
152.120
Molecular Weight
152.23 g/mol
Molecular Formula
C10H16O
Molecular Formula
C10H16O
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.086
Quantitative Estimate Of Drug Likeness（Qed）
0.606