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
- 16464
- Core Entity Id
- 21469
- Source Entity Count
- 1
- Preferred Name
- Dehydroflourensicacid
- Name En
- Pubchem Id
- 22298388
- Smiles Canonical
- CC1CCC=C2C1(CC(CC2=O)C(=C)C(=O)O)C
- Molecular Formula
- C15H20O3
- Molecular Weight
- 248.3220
- Inchikey
- CPDBOUQRDMUUIN-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H20O3/c1-9-5-4-6-12-13(16)7-11(8-15(9,12)3)10(2)14(17)18/h6,9,11H,2,4-5,7-8H2,1,3H3,(H,17,18)
- Isomeric Smiles
- CC1CCC=C2C1(CC(CC2=O)C(=C)C(=O)O)C
- Cas Id
- Ob Score
- Mol Logp
- 2.9689
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.7640
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Dehydroflourensicacid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Dehydroflourensicacid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
dehydroflourensicacid
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN023032
Npass
NPC58100
Tcmid
4917
Pub Chem
22298388
Tcmbank
TCMBANKIN010134
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H20O3/c1-9-5-4-6-12-13(16)7-11(8-15(9,12)3)10(2)14(17)18/h6,9,11H,2,4-5,7-8H2,1,3H3,(H,17,18)
Mol Wt
248.3219999999999
Smiles
CC1CCC=C2C1(CC(CC2=O)C(=C)C(=O)O)C
Mol Log P
2.968900000000001
In Ch Ikey
CPDBOUQRDMUUIN-UHFFFAOYSA-N
Num Hdonors
1
Drug Likeness
0.764
Num Hacceptors
2
Isomeric Smiles
CC1CCC=C2C1(CC(CC2=O)C(=C)C(=O)O)C
Canonical Smiles
CC1CCC=C2C1(CC(CC2=O)C(=C)C(=O)O)C
Molecular Formula
C15H20O3
Molecular Formula
C15H20O3
Num Rotatable Bonds
2