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
- 20046
- Core Entity Id
- 25460
- Source Entity Count
- 1
- Preferred Name
- Gerardianin b
- Name En
- Pubchem Id
- 177927949
- Smiles Canonical
- CC(COC(=O)C)C1=C(C2=C(C(=O)C1=O)C3(CCCC(C3CC2O)(C)C)C)O
- Molecular Formula
- C24H32O7
- Molecular Weight
- 390.5000
- Inchikey
- LJLLLZFYWYUZTM-MYLTXFMVSA-N
- Inchi
- InChI=1S/C22H30O6/c1-11(10-28-12(2)23)15-18(25)16-13(24)9-14-21(3,4)7-6-8-22(14,5)17(16)20(27)19(15)26/h11,13-14,24-25H,6-10H2,1-5H3/t11?,13-,14-,22-/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.5000
- Num H Donors
- 2
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 4
- Drug Likeness
- Polar Surface Area
- 101.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Gerardianin b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Gerardianin b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
gerardianin b
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN027550
Tcmid
8331
Tcmbank
TCMBANKIN042109
Attributes
Merged source attributes and domain-specific metadata.
Mol2 Path
/TCM_database/2007_3d_all/08332.mol2
Reference
4067
Molecular Formula
C24H32O7
Molecular Formula
C24H32O7