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
- 19286
- Core Entity Id
- 24615
- Source Entity Count
- 1
- Preferred Name
- Flourensadiol
- Name En
- Pubchem Id
- 91746640
- Smiles Canonical
- CC1CCC2C1C3C(C3(C)CO)CCC2(C)C
- Molecular Formula
- C16H28O
- Molecular Weight
- 236.3990
- Inchikey
- LTVWWYLRQMIEHW-UNBFQCGBSA-N
- Inchi
- InChI=1S/C16H28O/c1-10-5-6-11-13(10)14-12(16(14,4)9-17)7-8-15(11,2)3/h10-14,17H,5-9H2,1-4H3/t10-,11?,12-,13?,14-,16-/m1/s1
- Isomeric Smiles
- C[C@@H]1CCC2C1[C@H]3[C@H]([C@@]3(C)CO)CCC2(C)C
- Cas Id
- Ob Score
- Mol Logp
- 3.7133
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.7360
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Flourensadiol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Flourensadiol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
flourensadiol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
LTVWWYLRQMIEHW-UNBFQCGBSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
LTVWWYLRQMIEHW-UNBFQCGBSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
LTVWWYLRQMIEHW-UNBFQCGBSA-N
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN026600
Tcmid
7837
Pub Chem
91746640
Tcmbank
TCMBANKIN039724
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H28O/c1-10-5-6-11-13(10)14-12(16(14,4)9-17)7-8-15(11,2)3/h10-14,17H,5-9H2,1-4H3/t10-,11?,12-,13?,14-,16-/m1/s1
Mol Wt
236.3989999999999
Mol Log P
3.713300000000003
In Ch Ikey
LTVWWYLRQMIEHW-UNBFQCGBSA-N
Mol2 Path
/TCM_database/2007_3d_all/07838.mol2
Reference
3433
Num Hdonors
1
Drug Likeness
0.736
Num Hacceptors
1
Isomeric Smiles
C[C@@H]1CCC2C1[C@H]3[C@H]([C@@]3(C)CO)CCC2(C)C
Canonical Smiles
CC1CCC2C1C3C(C3(C)CO)CCC2(C)C
Herb Alias Names
LTVWWYLRQMIEHW-UNBFQCGBSA-N
Molecular Formula
C15H26O2
Molecular Formula
C16H28O
Num Rotatable Bonds
1