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
- 15896
- Core Entity Id
- 20837
- Source Entity Count
- 1
- Preferred Name
- Cycloparvifloralone
- Name En
- Pubchem Id
- 100963905
- Smiles Canonical
- CC1CCC2(C13CC4(C(C2(COC(C3O)O4)C)(C)O)O)O
- Molecular Formula
- C15H24O6
- Molecular Weight
- 300.3510
- Inchikey
- NMVDVMIPBSSDSI-TYFONEDASA-N
- Inchi
- InChI=1S/C15H24O6/c1-8-4-5-14(18)11(2)7-20-10-9(16)13(8,14)6-15(19,21-10)12(11,3)17/h8-10,16-19H,4-7H2,1-3H3/t8-,9+,10?,11+,12-,13+,14+,15-/m1/s1
- Isomeric Smiles
- C[C@@H]1CC[C@]2([C@@]13C[C@@]4([C@]([C@@]2(COC([C@@H]3O)O4)C)(C)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -0.2692
- Num H Donors
- 4
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4910
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cycloparvifloralone
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Cycloparvifloralone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Cycloparvifloralone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Cycloparvifloralone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
cycloparvifloralone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
228724-73-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
228724-73-0
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL508396
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL508396
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
228724-73-0CHEMBL508396
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN022331
Tcmid
4522
Sym Map
SMIT23229
Pub Chem
10096390544584732
Tcmbank
TCMBANKIN027671
Itcmdb Generated
ITX-INGREDIENT-829CF5A3368D
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H24O6/c1-8-4-5-14(18)11(2)7-20-10-9(16)13(8,14)6-15(19,21-10)12(11,3)17/h8-10,16-19H,4-7H2,1-3H3/t8-,9+,10?,11+,12-,13+,14+,15-/m1/s1
Mol Wt
300.351
Smiles
CC1CCC2(C13CC4(C(C2(COC(C3O)O4)C)(C)O)O)O
Mol Log P
-0.2691999999999999
Version
v2
In Ch Ikey
NMVDVMIPBSSDSI-TYFONEDASA-N
Suppress
0
Num Hdonors
4
Drug Likeness
0.491
Num Hacceptors
6
Isomeric Smiles
C[C@@H]1CC[C@]2([C@@]13C[C@@]4([C@]([C@@]2(COC([C@@H]3O)O4)C)(C)O)O)O
Canonical Smiles
CC1CCC2(C13CC4(C(C2(COC(C3O)O4)C)(C)O)O)O
Herb Alias Names
CHEMBL508396228724-73-0
Molecular Weight
300.35 g/mol
Molecular Formula
C15H24O6
Molecular Formula
C15H24O6
Num Rotatable Bonds
0