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
- 36519
- Core Entity Id
- 43784
- Source Entity Count
- 1
- Preferred Name
- Viscosumicacid
- Name En
- Pubchem Id
- 85145188
- Smiles Canonical
- CC1=CC2CC=C(C2C(C1=O)CC(C)C)C(=O)O
- Molecular Formula
- C15H20O3
- Molecular Weight
- 248.3220
- Inchikey
- PAAFIIOBYWWYMS-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H20O3/c1-8(2)6-12-13-10(7-9(3)14(12)16)4-5-11(13)15(17)18/h5,7-8,10,12-13H,4,6H2,1-3H3,(H,17,18)
- Isomeric Smiles
- CC1=CC2CC=C(C2C(C1=O)CC(C)C)C(=O)O
- Cas Id
- Ob Score
- Mol Logp
- 2.8248
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.8350
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Viscosumicacid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Viscosumicacid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
viscosumicacid
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN048016
Tcmid
22519
Pub Chem
85145188
Tcmbank
TCMBANKIN025697
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H20O3/c1-8(2)6-12-13-10(7-9(3)14(12)16)4-5-11(13)15(17)18/h5,7-8,10,12-13H,4,6H2,1-3H3,(H,17,18)
Mol Wt
248.322
Smiles
CC1=CC2CC=C(C2C(C1=O)CC(C)C)C(=O)O
Mol Log P
2.824800000000001
In Ch Ikey
PAAFIIOBYWWYMS-UHFFFAOYSA-N
Num Hdonors
1
Drug Likeness
0.835
Num Hacceptors
2
Isomeric Smiles
CC1=CC2CC=C(C2C(C1=O)CC(C)C)C(=O)O
Canonical Smiles
CC1=CC2CC=C(C2C(C1=O)CC(C)C)C(=O)O
Molecular Weight
248.32 g/mol
Molecular Formula
C15H20O3
Molecular Formula
C15H20O3
Num Rotatable Bonds
3