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
- 27499
- Core Entity Id
- 33753
- Source Entity Count
- 1
- Preferred Name
- Nerinine
- Name En
- Pubchem Id
- 101596936
- Smiles Canonical
- CN1CCC2=CCC3C(C21)C4=CC(=C(C(=C4C(O3)O)OC)OC)OC
- Molecular Formula
- C19H25NO5
- Molecular Weight
- 347.4110
- Inchikey
- MNAREALDHXFRFJ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C19H25NO5/c1-20-8-7-10-5-6-12-14(16(10)20)11-9-13(22-2)17(23-3)18(24-4)15(11)19(21)25-12/h5,9,12,14,16,19,21H,6-8H2,1-4H3
- Isomeric Smiles
- CN1CCC2=CCC3C(C21)C4=CC(=C(C(=C4C(O3)O)OC)OC)OC
- Cas Id
- Ob Score
- Mol Logp
- 2.2199
- Num H Donors
- 1
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.8460
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Nerinine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Nerinine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Nerinine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
nerinine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
8,9,10-Trimethoxy-1-methyllycorenan-7-ol #
Role
alias
Source
HERB_v2
Preferred
No
Name
8,9,10-Trimethoxy-1-methyllycorenan-7-ol #
Role
alias
Source
itcmdb_public
Preferred
No
Name
MNAREALDHXFRFJ-UHFFFAOYSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
MNAREALDHXFRFJ-UHFFFAOYSA-N
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
8,9,10-Trimethoxy-1-methyllycorenan-7-ol #MNAREALDHXFRFJ-UHFFFAOYSA-N
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN036788
Tcmid
15487
Pub Chem
101596936573106
Tcmbank
TCMBANKIN022372
Etcm Ingredient
Nerinine
Itcmdb Generated
ITX-INGREDIENT-2BC27F35498B
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C19H25NO5/c1-20-8-7-10-5-6-12-14(16(10)20)11-9-13(22-2)17(23-3)18(24-4)15(11)19(21)25-12/h5,9,12,14,16,19,21H,6-8H2,1-4H3
Mol Wt
347.4110000000001
Smiles
CN1CCC2=CCC3C(C21)C4=CC(=C(C(=C4C(O3)O)OC)OC)OC
Mol Log P
2.2199
In Ch Ikey
MNAREALDHXFRFJ-UHFFFAOYSA-N
Num Hdonors
1
Drug Likeness
0.846
Num Hacceptors
6
Isomeric Smiles
CN1CCC2=CCC3C(C21)C4=CC(=C(C(=C4C(O3)O)OC)OC)OC
Canonical Smiles
CN1CCC2=CCC3C(C21)C4=CC(=C(C(=C4C(O3)O)OC)OC)OC
Herb Alias Names
MNAREALDHXFRFJ-UHFFFAOYSA-N8,9,10-Trimethoxy-1-methyllycorenan-7-ol #
Molecular Weight
347.170
Molecular Weight
347.4 g/mol
Molecular Formula
C19H25NO5
Molecular Formula
C19H25NO5
Molecular Formula
C19H25NO5
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.914
Quantitative Estimate Of Drug Likeness（Qed）
0.846