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
- 15897
- Core Entity Id
- 20838
- Source Entity Count
- 1
- Preferred Name
- Cycloparviflorolide
- Name En
- Pubchem Id
- 101151014
- Smiles Canonical
- CC1CCC23C14CC(O2)(C(C3(COC(=O)C4O)C)(C)O)O
- Molecular Formula
- C15H22O6
- Molecular Weight
- 298.3350
- Inchikey
- ZONFVJPXGVRFIV-CADPAKQESA-N
- Inchi
- InChI=1S/C15H22O6/c1-8-4-5-14-11(2)7-20-10(17)9(16)13(8,14)6-15(19,21-14)12(11,3)18/h8-9,16,18-19H,4-7H2,1-3H3/t8-,9-,11+,12+,13-,14-,15-/m0/s1
- Isomeric Smiles
- C[C@H]1CC[C@]23[C@@]14C[C@](O2)([C@]([C@]3(COC(=O)[C@@H]4O)C)(C)O)O
- Cas Id
- Ob Score
- Mol Logp
- -0.0610
- Num H Donors
- 3
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5420
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cycloparviflorolide
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Cycloparviflorolide
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Cycloparviflorolide
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Cycloparviflorolide
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
cycloparviflorolide
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN022332
Npass
NPC160550
Tcmid
35148
Sym Map
SMIT23230
Pub Chem
101151014
Tcmbank
TCMBANKIN013870
Itcmdb Generated
ITX-INGREDIENT-3152931A70DA
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H22O6/c1-8-4-5-14-11(2)7-20-10(17)9(16)13(8,14)6-15(19,21-14)12(11,3)18/h8-9,16,18-19H,4-7H2,1-3H3/t8-,9-,11+,12+,13-,14-,15-/m0/s1
Mol Wt
298.335
Smiles
CC1CCC23C14CC(O2)(C(C3(COC(=O)C4O)C)(C)O)O
Mol Log P
-0.061
Version
v2
In Ch Ikey
ZONFVJPXGVRFIV-CADPAKQESA-N
Suppress
0
Num Hdonors
3
Drug Likeness
0.542
Num Hacceptors
6
Isomeric Smiles
C[C@H]1CC[C@]23[C@@]14C[C@](O2)([C@]([C@]3(COC(=O)[C@@H]4O)C)(C)O)O
Canonical Smiles
CC1CCC23C14CC(O2)(C(C3(COC(=O)C4O)C)(C)O)O
Molecular Weight
298.33 g/mol
Molecular Formula
C15H22O6
Molecular Formula
C15H22O6
Num Rotatable Bonds
0