Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 14262
- Core Entity Id
- 19020
- Source Entity Count
- 1
- Preferred Name
- Chloranoside a_qt
- Name En
- Pubchem Id
- 102441214
- Smiles Canonical
- CC1=C2CC3C(C=C2OC1=O)(C4CC4C3(CO)O)C
- Molecular Formula
- C15H18O4
- Molecular Weight
- 262.3050
- Inchikey
- KZYJSWYAVVKDPR-UCTJBKIYSA-N
- Inchi
- InChI=1S/C15H18O4/c1-7-8-3-12-14(2,5-11(8)19-13(7)17)9-4-10(9)15(12,18)6-16/h5,9-10,12,16,18H,3-4,6H2,1-2H3/t9-,10+,12-,14+,15-/m1/s1
- Isomeric Smiles
- CC1=C2C[C@@H]3[C@@](C=C2OC1=O)([C@@H]4C[C@@H]4[C@@]3(CO)O)C
- Cas Id
- Ob Score
- 84.1140
- Mol Logp
- 1.1429
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6950
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Chloranoside A_Qt
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Chloranoside A_Qt
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Chloranoside a_qt
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Chloranoside a_qt
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
chloranoside a_qt
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN020344
Tcmsp
MOL007747
Sym Map
SMIT09125
Pub Chem
102441214
Tcmbank
TCMBANKIN022459
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H18O4/c1-7-8-3-12-14(2,5-11(8)19-13(7)17)9-4-10(9)15(12,18)6-16/h5,9-10,12,16,18H,3-4,6H2,1-2H3/t9-,10+,12-,14+,15-/m1/s1
Mol Wt
262.3049999999999
Mol Log P
1.1429
Version
v1,v2
In Ch Ikey
KZYJSWYAVVKDPR-UCTJBKIYSA-N
Ob Score
84.11484.1143319484.114332
Suppress
0
Num Hdonors
2
Drug Likeness
0.695
Num Hacceptors
4
Isomeric Smiles
CC1=C2C[C@@H]3[C@@](C=C2OC1=O)([C@@H]4C[C@@H]4[C@@]3(CO)O)C
Molecule Weight
262.33
Canonical Smiles
CC1=C2CC3C(C=C2OC1=O)(C4CC4C3(CO)O)C
Molecular Weight
262.33
Molecular Formula
C15H18O4
Num Rotatable Bonds
1