Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 63714
- Core Entity Id
- 110732
- Source Entity Count
- 1
- Preferred Name
- Fritillaria, B
- Name En
- Pubchem Id
- 101298713
- Smiles Canonical
- CC1CCC2C(C3CCC4(C(C3CN2C1)CC5C4CC(C6C5(CCC(C6)OC(=O)C)C)O)O)C
- Molecular Formula
- C27H43NO3
- Molecular Weight
- 473.7000
- Inchikey
- FCHAMFUEENBIDH-XDLMCNOPSA-N
- Inchi
- InChI=1S/C29H47NO4/c1-16-5-6-26-17(2)20-8-10-29(33)22(21(20)15-30(26)14-16)12-23-24(29)13-27(32)25-11-19(34-18(3)31)7-9-28(23,25)4/h16-17,19-27,32-33H,5-15H2,1-4H3/t16-,17?,19-,20-,21-,22+,23+,24-,25-,26+,27-,28-,29+/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 4.5000
- Num H Donors
- 2
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 70.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Fritillaria, B
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Fritillaria, B
Role
preferred
Source
SymMap_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT23986
Pub Chem
101298713
Itcmdb Generated
ITX-INGREDIENT-1024ACA11E12
Attributes
Merged source attributes and domain-specific metadata.
Type
QC ingredients
Version
v2
Suppress
0
Molecule Formula
C27H43NO3