Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 34779
- Core Entity Id
- 41847
- Source Entity Count
- 1
- Preferred Name
- Tecostanine
- Name En
- Pubchem Id
- 120773
- Smiles Canonical
- CC1CCC2C1CN(CC2CO)C
- Molecular Formula
- C11H21NO
- Molecular Weight
- 183.2950
- Inchikey
- CRVXJVHSLVEDRI-UHFFFAOYSA-N
- Inchi
- InChI=1S/C11H21NO/c1-8-3-4-10-9(7-13)5-12(2)6-11(8)10/h8-11,13H,3-7H2,1-2H3
- Isomeric Smiles
- CC1CCC2C1CN(CC2CO)C
- Cas Id
- Ob Score
- Mol Logp
- 1.2026
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6600
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Tecostanine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Tecostanine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Tecostanine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
tecostanine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2,7-dimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-4-yl)methanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2,7-dimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-4-yl)methanol
Role
alias
Source
HERB_v2
Preferred
No
Name
1H-2-Pyrindine-4-methanol, octahydro-2,7-dimethyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
1H-2-Pyrindine-4-methanol, octahydro-2,7-dimethyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
5-21-01-00349 (Beilstein Handbook Reference)
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-21-01-00349 (Beilstein Handbook Reference)
Role
alias
Source
HERB_v2
Preferred
No
Name
708-18-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
708-18-9
Role
alias
Source
HERB_v2
Preferred
No
Name
AC1L3RGJ
Role
alias
Source
HERB_v2
Preferred
No
Name
AC1L3RGJ
Role
alias
Source
itcmdb_public
Preferred
No
Name
BRN 1422487
Role
alias
Source
HERB_v2
Preferred
No
Name
BRN 1422487
Role
alias
Source
itcmdb_public
Preferred
No
Name
LS-148644
Role
alias
Source
HERB_v2
Preferred
No
Name
LS-148644
Role
alias
Source
itcmdb_public
Preferred
No
Name
Octahydro-2,7-dimethyl-1H-2-pyrindine-4-methanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Octahydro-2,7-dimethyl-1H-2-pyrindine-4-methanol
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2,7-dimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-4-yl)methanol1H-2-Pyrindine-4-methanol, octahydro-2,7-dimethyl-5-21-01-00349 (Beilstein Handbook Reference)708-18-9AC1L3RGJBRN 1422487LS-148644Octahydro-2,7-dimethyl-1H-2-pyrindine-4-methanol
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN045829
Npass
NPC324297
Tcmid
20882
Tcm Id
25007607
Pub Chem
120773
Tcmbank
TCMBANKIN006482
Etcm Ingredient
Tecostanine
Itcmdb Generated
ITX-INGREDIENT-9E0FA5FEC716
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C11H21NO/c1-8-3-4-10-9(7-13)5-12(2)6-11(8)10/h8-11,13H,3-7H2,1-2H3
Mol Wt
183.295
Smiles
CC1CCC2C1CN(CC2CO)C
Mol Log P
1.2026
In Ch Ikey
CRVXJVHSLVEDRI-UHFFFAOYSA-N
Num Hdonors
1
Drug Likeness
0.66
Num Hacceptors
2
Isomeric Smiles
CC1CCC2C1CN(CC2CO)C
Canonical Smiles
CC1CCC2C1CN(CC2CO)C
Herb Alias Names
BRN 1422487708-18-9Octahydro-2,7-dimethyl-1H-2-pyrindine-4-methanol1H-2-Pyrindine-4-methanol, octahydro-2,7-dimethyl-5-21-01-00349 (Beilstein Handbook Reference)(2,7-dimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-4-yl)methanolAC1L3RGJ(2,7-dimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta(c)pyridin-4-yl)methanolLS-148644
Molecular Weight
183.160
Molecular Weight
183.29 g/mol
Molecular Formula
C11H21NO
Molecular Formula
C11H21NO
Molecular Formula
C11H21NO
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.042
Quantitative Estimate Of Drug Likeness（Qed）
0.660