Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 4Links: 6
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 22073
- Core Entity Id
- 27719
- Source Entity Count
- 1
- Preferred Name
- Imperialine-beta-n-oxide
- Name En
- Pubchem Id
- 16397295
- Smiles Canonical
- CC1CCC2C(C3CCC4C(C3C[N+]2(C1)[O-])CC5C4CC(=O)C6C5(CCC(C6)O)C)(C)O
- Molecular Formula
- C27H43NO4
- Molecular Weight
- 445.6000
- Inchikey
- RTQDXHMAHWNJLQ-QCCAPMPZSA-N
- Inchi
- InChI=1S/C27H43NO4/c1-15-4-7-25-27(3,31)21-6-5-17-18(20(21)14-28(25,32)13-15)11-22-19(17)12-24(30)23-10-16(29)8-9-26(22,23)2/h15-23,25,29,31H,4-14H2,1-3H3/t15-,16-,17+,18+,19-,20-,21+,22-,23+,25-,26+,27-,28?/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- 15.7060
- Mol Logp
- 3.3000
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 0
- Drug Likeness
- Polar Surface Area
- 75.6000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Imperialine-beta-n-oxide
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Imperialine-beta-n-oxide
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN030059
Tcmsp
MOL009585
Sym Map
SMIT10697
Attributes
Merged source attributes and domain-specific metadata.
Ob Score
15.706