Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 12Links: 14
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 25945
- Core Entity Id
- 32030
- Source Entity Count
- 1
- Preferred Name
- Methoxychelidonine
- Name En
- Pubchem Id
- 101601460
- Smiles Canonical
- COC1=C2C(=CC3=CC(=C4C5=C(CNC4=C31)C6=C(C=C5)OCO6)O)OCO2
- Molecular Formula
- C20H15NO6
- Molecular Weight
- 365.3410
- Inchikey
- YRNZUSFZAMIXBD-UHFFFAOYSA-N
- Inchi
- InChI=1S/C20H15NO6/c1-23-20-15-9(5-14-19(20)27-8-25-14)4-12(22)16-10-2-3-13-18(26-7-24-13)11(10)6-21-17(15)16/h2-5,21-22H,6-8H2,1H3
- Isomeric Smiles
- COC1=C2C(=CC3=CC(=C4C5=C(CNC4=C31)C6=C(C=C5)OCO6)O)OCO2
- Cas Id
- Ob Score
- 32.2140
- Mol Logp
- 3.6039
- Num H Donors
- 2
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6820
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Methoxychelidonine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Methoxychelidonine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Methoxychelidonine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Methoxychelidonine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
methoxychelidonine
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN034850
Npass
NPC127143
Tcmid
13873
Tcmsp
MOL001469
Sym Map
SMIT00461
Pub Chem
101601460
Tcmbank
TCMBANKIN029964
Etcm Ingredient
Methoxychelidonine
Itcmdb Generated
ITX-INGREDIENT-7028373845BB
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C20H15NO6/c1-23-20-15-9(5-14-19(20)27-8-25-14)4-12(22)16-10-2-3-13-18(26-7-24-13)11(10)6-21-17(15)16/h2-5,21-22H,6-8H2,1H3
Mol Wt
365.3410000000001
Smiles
COC1=C2C(=CC3=CC(=C4C5=C(CNC4=C31)C6=C(C=C5)OCO6)O)OCO2
Mol Log P
3.603900000000001
Version
v1,v2
In Ch Ikey
YRNZUSFZAMIXBD-UHFFFAOYSA-N
Ob Score
32.21432.2143965232.214397
Suppress
0
Num Hdonors
2
Drug Likeness
0.682
Num Hacceptors
7
Isomeric Smiles
COC1=C2C(=CC3=CC(=C4C5=C(CNC4=C31)C6=C(C=C5)OCO6)O)OCO2
Molecule Weight
383.43
Canonical Smiles
COC1=C2C(=CC3=CC(=C4C5=C(CNC4=C31)C6=C(C=C5)OCO6)O)OCO2
Molecular Weight
365.090
Molecular Weight
365.3 g/mol
Molecule Formula
C21H21NO6
Molecular Formula
C20H15NO6
Molecular Formula
C20H15NO6
Molecular Formula
C20H15NO6
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.662
Quantitative Estimate Of Drug Likeness（Qed）
0.682