Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 3Links: 6
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 64692
- Core Entity Id
- 111710
- Source Entity Count
- 1
- Preferred Name
- Rotundine
- Name En
- Pubchem Id
- 5417
- Smiles Canonical
- COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
- Molecular Formula
- C21H25NO4
- Molecular Weight
- 355.4000
- Inchikey
- AEQDJSLRWYMAQI-UHFFFAOYSA-N
- Inchi
- InChI=1S/C21H25NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,10-11,17H,7-9,12H2,1-4H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.2000
- Num H Donors
- 0
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 4
- Drug Likeness
- Polar Surface Area
- 40.2000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Rotundine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT26557
Itcmdb Generated
ITX-INGREDIENT-097476B75135
Attributes
Merged source attributes and domain-specific metadata.
Type
Blood ingredients
Version
v2
Suppress
0
Molecule Formula
C21H25NO4