Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 27741
- Core Entity Id
- 34017
- Source Entity Count
- 1
- Preferred Name
- N-methyl ovigerine
- Name En
- Pubchem Id
- 5319745
- Smiles Canonical
- CN1CCC2=CC3=C(C4=C2C1CC5=C4C6=C(C=C5)OCO6)OCO3
- Molecular Formula
- C19H17NO4
- Molecular Weight
- 323.3480
- Inchikey
- KHTXSFOJUTYJHN-UHFFFAOYSA-N
- Inchi
- InChI=1S/C19H17NO4/c1-20-5-4-11-7-14-19(24-9-22-14)17-15(11)12(20)6-10-2-3-13-18(16(10)17)23-8-21-13/h2-3,7,12H,4-6,8-9H2,1H3
- Isomeric Smiles
- CN1CCC2=CC3=C(C4=C2C1CC5=C4C6=C(C=C5)OCO6)OCO3
- Cas Id
- Ob Score
- Mol Logp
- 2.8961
- Num H Donors
- 0
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.7450
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
N-methyl ovigerine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
N-methyl ovigerine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
n-methyl ovigerine
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN037109
Npass
NPC295536
Tcmid
14632
Pub Chem
5319745
Tcmbank
TCMBANKIN033167
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C19H17NO4/c1-20-5-4-11-7-14-19(24-9-22-14)17-15(11)12(20)6-10-2-3-13-18(16(10)17)23-8-21-13/h2-3,7,12H,4-6,8-9H2,1H3
Mol Wt
323.3480000000001
Smiles
CN1CCC2=CC3=C(C4=C2C1CC5=C4C6=C(C=C5)OCO6)OCO3
Mol Log P
2.896100000000001
In Ch Ikey
KHTXSFOJUTYJHN-UHFFFAOYSA-N
Num Hdonors
0
Drug Likeness
0.745
Num Hacceptors
5
Isomeric Smiles
CN1CCC2=CC3=C(C4=C2C1CC5=C4C6=C(C=C5)OCO6)OCO3
Canonical Smiles
CN1CCC2=CC3=C(C4=C2C1CC5=C4C6=C(C=C5)OCO6)OCO3
Molecular Formula
C19H17NO4
Molecular Formula
C19H17NO4
Num Rotatable Bonds
0