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
- 30272
- Core Entity Id
- 36834
- Source Entity Count
- 1
- Preferred Name
- P-mentha-1,8-diene-10-al
- Name En
- Pubchem Id
- 10080561
- Smiles Canonical
- CC1=CCC(CC1)C(=C)C=O
- Molecular Formula
- C10H14O
- Molecular Weight
- 150.2210
- Inchikey
- SKLHKDRZYVWVQX-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H14O/c1-8-3-5-10(6-4-8)9(2)7-11/h3,7,10H,2,4-6H2,1H3
- Isomeric Smiles
- CC1=CCC(CC1)C(=C)C=O
- Cas Id
- Ob Score
- Mol Logp
- 2.4879
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.3360
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
P-Mentha-1,8-diene-10-al
Role
preferred
Source
TCMBank
Preferred
Yes
Name
P-mentha-1,8-diene-10-al
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
P-mentha-1,8-diene-10-al
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
CHEMBL52959
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL52959
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL7646061
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL7646061
Role
alias
Source
itcmdb_public
Preferred
No
Name
SKLHKDRZYVWVQX-UHFFFAOYSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
SKLHKDRZYVWVQX-UHFFFAOYSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
CHEMBL52959SCHEMBL7646061SKLHKDRZYVWVQX-UHFFFAOYSA-N
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN040309
Tcmid
12836
Pub Chem
10080561
Tcmbank
TCMBANKIN026641
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C10H14O/c1-8-3-5-10(6-4-8)9(2)7-11/h3,7,10H,2,4-6H2,1H3
Mol Wt
150.221
Smiles
CC1=CCC(CC1)C(=C)C=O
Mol Log P
2.487900000000001
In Ch Ikey
SKLHKDRZYVWVQX-UHFFFAOYSA-N
Num Hdonors
0
Drug Likeness
0.336
Num Hacceptors
1
Isomeric Smiles
CC1=CCC(CC1)C(=C)C=O
Canonical Smiles
CC1=CCC(CC1)C(=C)C=O
Herb Alias Names
CHEMBL52959SCHEMBL7646061SKLHKDRZYVWVQX-UHFFFAOYSA-N
Molecular Weight
150.22 g/mol
Molecular Formula
C10H14O
Molecular Formula
C10H14O
Num Rotatable Bonds
2