Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 9253
- Core Entity Id
- 13452
- Source Entity Count
- 1
- Preferred Name
- Abieta-8,11,13-trien-7beta-ol
- Name En
- Pubchem Id
- 11266161
- Smiles Canonical
- CC(C)C1=C(C2=C(C=C1)C3(CCCC(C3CC2)(C)C)C)O
- Molecular Formula
- C20H30O
- Molecular Weight
- 286.4590
- Inchikey
- HOJWCCXHGGCJQV-FXAWDEMLSA-N
- Inchi
- InChI=1S/C20H30O/c1-13(2)14-7-9-16-15(18(14)21)8-10-17-19(3,4)11-6-12-20(16,17)5/h7,9,13,17,21H,6,8,10-12H2,1-5H3/t17-,20+/m0/s1
- Isomeric Smiles
- CC(C)C1=C(C2=C(C=C1)[C@]3(CCCC([C@@H]3CC2)(C)C)C)O
- Cas Id
- Ob Score
- Mol Logp
- 5.5458
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.7180
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Abieta-8,11,13-trien-7beta-ol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Abieta-8,11,13-trien-7beta-ol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
14-HYDROXYDEHYDROABIETANE
Role
alias
Source
HERB_v2
Preferred
No
Name
14-HYDROXYDEHYDROABIETANE
Role
alias
Source
itcmdb_public
Preferred
No
Name
67119-95-3
Role
alias
Source
HERB_v2
Preferred
No
Name
67119-95-3
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
14-HYDROXYDEHYDROABIETANE67119-95-3
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN014216
Tcmid
7
Pub Chem
11266161
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H30O/c1-13(2)14-7-9-16-15(18(14)21)8-10-17-19(3,4)11-6-12-20(16,17)5/h7,9,13,17,21H,6,8,10-12H2,1-5H3/t17-,20+/m0/s1
Mol Wt
286.4589999999999
Mol Log P
5.545800000000006
In Ch Ikey
HOJWCCXHGGCJQV-FXAWDEMLSA-N
Num Hdonors
1
Drug Likeness
0.718
Num Hacceptors
1
Isomeric Smiles
CC(C)C1=C(C2=C(C=C1)[C@]3(CCCC([C@@H]3CC2)(C)C)C)O
Canonical Smiles
CC(C)C1=C(C2=C(C=C1)C3(CCCC(C3CC2)(C)C)C)O
Herb Alias Names
14-HYDROXYDEHYDROABIETANE67119-95-3
Molecular Formula
C20H30O
Num Rotatable Bonds
1