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
- 9471
- Core Entity Id
- 13695
- Source Entity Count
- 1
- Preferred Name
- Acetylisocorynoline
- Name En
- Pubchem Id
- 177827152
- Smiles Canonical
- CC(=O)OC1CC2=CC3=C(C=C2C4C1C5=C(CN4C)C6=C(C=C5)OCO6)OCO3
- Molecular Formula
- C23H23NO6
- Molecular Weight
- 409.1500
- Inchikey
- IDYNWQAYWOFRRD-NYLDSWQDSA-N
- Inchi
- InChI=1S/C22H21NO6/c1-11(24)29-19-6-12-5-17-18(27-9-26-17)7-14(12)21-20(19)13-3-4-16-22(28-10-25-16)15(13)8-23(21)2/h3-5,7,19-21H,6,8-10H2,1-2H3/t19?,20-,21?/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.7000
- Num H Donors
- 0
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 66.5000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Acetylisocorynoline
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Acetylisocorynoline
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Acetylisocorynoline
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
acetylisocorynoline
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN014479
Tcmid
438
Tcmbank
TCMBANKIN027484
Etcm Ingredient
Acetylisocorynoline
Itcmdb Generated
ITX-INGREDIENT-1C5E04E16414
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
409.150
Molecular Formula
C23H23NO6
Molecular Formula
C23H23NO6
Molecular Formula
C23H23NO6
Fda Maximum Daily Dose (Fdamdd)
0.986
Quantitative Estimate Of Drug Likeness（Qed）
0.671