Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 8917
- Core Entity Id
- 13078
- Source Entity Count
- 1
- Preferred Name
- 8-methoxyiso-decarine
- Name En
- Pubchem Id
- 136854509
- Smiles Canonical
- COC1=C(C2=C(N=C3C(=C2C=C1)C=CC4=CC5=C(C=C43)OCO5)OC)O
- Molecular Formula
- C20H15NO5
- Molecular Weight
- 349.3420
- Inchikey
- YZDGYNDQPLGRJN-UHFFFAOYSA-N
- Inchi
- InChI=1S/C20H15NO5/c1-23-14-6-5-11-12-4-3-10-7-15-16(26-9-25-15)8-13(10)18(12)21-20(24-2)17(11)19(14)22/h3-8,22H,9H2,1-2H3
- Isomeric Smiles
- COC1=C(C2=C(N=C3C(=C2C=C1)C=CC4=CC5=C(C=C43)OCO5)OC)O
- Cas Id
- Ob Score
- Mol Logp
- 3.9927
- Num H Donors
- 1
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.5520
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
8-Methoxyiso-Decarine
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
8-Methoxyiso-Decarine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
8-Methoxyiso-decarine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
8-methoxyiso-decarine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
8-methoxyiso-decarine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
8-methoxyisodecarine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
8-methoxyisodecarine
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN013814
Tcmid
37097
Sym Map
SMIT22055
Pub Chem
136854509
Tcmbank
TCMBANKIN003371
Etcm Ingredient
8-methoxyisodecarine
Itcmdb Generated
ITX-INGREDIENT-2E38BAE26403ITX-INGREDIENT-59818D9AB496
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C20H15NO5/c1-23-14-6-5-11-12-4-3-10-7-15-16(26-9-25-15)8-13(10)18(12)21-20(24-2)17(11)19(14)22/h3-8,22H,9H2,1-2H3
Mol Wt
349.3420000000002
Smiles
COC1=C(C2=C(N=C3C(=C2C=C1)C=CC4=CC5=C(C=C43)OCO5)OC)O
Mol Log P
3.992700000000003
Version
v2
In Ch Ikey
YZDGYNDQPLGRJN-UHFFFAOYSA-N
Suppress
0
Num Hdonors
1
Drug Likeness
0.552
Num Hacceptors
6
Isomeric Smiles
COC1=C(C2=C(N=C3C(=C2C=C1)C=CC4=CC5=C(C=C43)OCO5)OC)O
Canonical Smiles
COC1=C(C2=C(N=C3C(=C2C=C1)C=CC4=CC5=C(C=C43)OCO5)OC)O
Molecular Weight
349.100
Molecular Weight
349.3 g/mol
Molecular Formula
C20H15NO5
Molecular Formula
C20H15NO5
Molecular Formula
C20H15NO5
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.875
Quantitative Estimate Of Drug Likeness（Qed）
0.552