Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 7Ingredient: 1Links: 7
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 34874
- Core Entity Id
- 41950
- Source Entity Count
- 1
- Preferred Name
- Tenulin
- Name En
- Pubchem Id
- 131676088
- Smiles Canonical
- CC1CC2C3C(C4(C1C=CC4=O)C)OC(C3(C(=O)O2)C)(C)O
- Molecular Formula
- C17H22O5
- Molecular Weight
- 306.3580
- Inchikey
- CNIULSUYTFOEHN-MEBIVNBJSA-N
- Inchi
- InChI=1S/C17H22O5/c1-8-7-10-12-13(15(2)9(8)5-6-11(15)18)22-17(4,20)16(12,3)14(19)21-10/h5-6,8-10,12-13,20H,7H2,1-4H3/t8-,9+,10+,12-,13-,15+,16+,17?/m1/s1
- Isomeric Smiles
- C[C@@H]1C[C@H]2[C@@H]3[C@H]([C@]4([C@H]1C=CC4=O)C)OC([C@@]3(C(=O)O2)C)(C)O
- Cas Id
- Ob Score
- Mol Logp
- 1.4428
- Num H Donors
- 1
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.6860
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Tenulin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Tenulin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Tenulin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Tenulin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
tenulin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2aR,4aS,6R,6aR,9aR,9bR,9cR)-2-hydroxy-2,2a,6,9a-tetramethyl-2a,4a,5,6,6a,9a,9b,9c-octahydro-2H-1,4-dioxadicyclopenta(cd,f)azulene-3,9-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
(2aR,4aS,6R,6aR,9aR,9bR,9cR)-2-hydroxy-2,2a,6,9a-tetramethyl-2a,4a,5,6,6a,9a,9b,9c-octahydro-2H-1,4-dioxadicyclopenta(cd,f)azulene-3,9-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
19202-92-7
Role
alias
Source
HERB_v2
Preferred
No
Name
19202-92-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
55780-22-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
55780-22-8
Role
alias
Source
HERB_v2
Preferred
No
Name
8O6QE3MHR3
Role
alias
Source
itcmdb_public
Preferred
No
Name
8O6QE3MHR3
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:9441
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:9441
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL490324
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL490324
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC 19942
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC19942
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-8O6QE3MHR3
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-8O6QE3MHR3
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2aR,4aS,6R,6aR,9aR,9bR,9cR)-2-hydroxy-2,2a,6,9a-tetramethyl-2a,4a,5,6,6a,9a,9b,9c-octahydro-2H-1,4-dioxadicyclopenta(cd,f)azulene-3,9-dione19202-92-755780-22-88O6QE3MHR3CHEBI:9441CHEMBL490324NSC 19942NSC19942UNII-8O6QE3MHR3
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN045925
Tcmid
20947
Sym Map
SMIT27076
Tcm Id
1416525011575
Pub Chem
131676088227830
Tcmbank
TCMBANKIN002442
Etcm Ingredient
Tenulin
Itcmdb Generated
ITX-INGREDIENT-957303F7A474ITX-INGREDIENT-CC95131369D7
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C17H22O5/c1-8-7-10-12-13(15(2)9(8)5-6-11(15)18)22-17(4,20)16(12,3)14(19)21-10/h5-6,8-10,12-13,20H,7H2,1-4H3/t8-,9+,10+,12-,13-,15+,16+,17?/m1/s1
Mol Wt
306.358
Smiles
CC1CC2C3C(C4(C1C=CC4=O)C)OC(C3(C(=O)O2)C)(C)O
Mol Log P
1.4428
Version
v2
In Ch Ikey
CNIULSUYTFOEHN-MEBIVNBJSA-N
Suppress
0
Num Hdonors
1
Drug Likeness
0.686
Num Hacceptors
5
Isomeric Smiles
C[C@@H]1C[C@H]2[C@@H]3[C@H]([C@]4([C@H]1C=CC4=O)C)OC([C@@]3(C(=O)O2)C)(C)O
Canonical Smiles
CC1CC2C3C(C4(C1C=CC4=O)C)OC(C3(C(=O)O2)C)(C)O
Herb Alias Names
19202-92-78O6QE3MHR355780-22-8NSC19942NSC 19942(2aR,4aS,6R,6aR,9aR,9bR,9cR)-2-hydroxy-2,2a,6,9a-tetramethyl-2a,4a,5,6,6a,9a,9b,9c-octahydro-2H-1,4-dioxadicyclopenta(cd,f)azulene-3,9-dioneUNII-8O6QE3MHR3CHEBI:9441CHEMBL490324
Molecular Weight
306.150
Molecular Weight
306.4 g/mol
Molecular Formula
C17H22O5
Molecular Formula
C17H22O5
Molecular Formula
C17H22O5
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.884
Quantitative Estimate Of Drug Likeness（Qed）
0.686