Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 64437
- Core Entity Id
- 111455
- Source Entity Count
- 1
- Preferred Name
- Ophiopogonin
- Name En
- Pubchem Id
- 12314417
- Smiles Canonical
- CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(C(CC(C6)O)OC7C(C(C(C(O7)C)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)OC1
- Molecular Formula
- C44H70O16
- Molecular Weight
- 855.0000
- Inchikey
- FHKHGNFKBPFJCB-UHFFFAOYSA-N
- Inchi
- InChI=1S/C44H70O16/c1-18-9-12-44(54-16-18)19(2)30-28(60-44)15-26-24-8-7-22-13-23(45)14-29(43(22,6)25(24)10-11-42(26,30)5)57-41-38(59-40-36(52)34(50)31(47)20(3)55-40)37(32(48)21(4)56-41)58-39-35(51)33(49)27(46)17-53-39/h7,18-21,23-41,45-52H,8-17H2,1-6H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.0000
- Num H Donors
- 8
- Num H Acceptors
- 16
- Num Rotatable Bonds
- 6
- Drug Likeness
- Polar Surface Area
- 236.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Ophiopogonin
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Ophiopogonin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT25856
Itcmdb Generated
ITX-INGREDIENT-9BDE65F43AB1
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v2
Suppress
0