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
- 9970
- Core Entity Id
- 14248
- Source Entity Count
- 1
- Preferred Name
- Alamarine
- Name En
- Pubchem Id
- 442157
- Smiles Canonical
- CC(C1=C2C=C3C4=CC(=C(C=C4CCN3C(=O)C2=CN=C1)OC)O)O
- Molecular Formula
- C19H18N2O4
- Molecular Weight
- 338.3630
- Inchikey
- HDIPTJUHEOGXQC-SNVBAGLBSA-N
- Inchi
- InChI=1S/C19H18N2O4/c1-10(22)14-8-20-9-15-13(14)6-16-12-7-17(23)18(25-2)5-11(12)3-4-21(16)19(15)24/h5-10,22-23H,3-4H2,1-2H3/t10-/m1/s1
- Isomeric Smiles
- C[C@H](C1=C2C=C3C4=CC(=C(C=C4CCN3C(=O)C2=CN=C1)OC)O)O
- Cas Id
- Ob Score
- Mol Logp
- 2.3871
- Num H Donors
- 2
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.7490
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Alamarine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Alamarine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Alamarine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Alamarine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
AN GE LA BA JIAO FENG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
AngoIa AIangium*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
2-hydroxy-12-[(1R)-1-hydroxyethyl]-3-methoxy-5,6-dihydro-8H-isoquinolino[2,1-b][2,7]naphthyridin-8-one
Role
alias
Source
HERB_v2
Preferred
No
Name
2-hydroxy-12-[(1R)-1-hydroxyethyl]-3-methoxy-5,6-dihydro-8H-isoquinolino[2,1-b][2,7]naphthyridin-8-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-hydroxy-12-[(1R)-1-hydroxyethyl]-3-methoxy-5,6-dihydroisoquinolino[2,1-b][2,7]naphthyridin-8-one
Role
alias
Source
HERB_v2
Preferred
No
Name
2-hydroxy-12-[(1R)-1-hydroxyethyl]-3-methoxy-5,6-dihydroisoquinolino[2,1-b][2,7]naphthyridin-8-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
77156-18-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
77156-18-4
Role
alias
Source
HERB_v2
Preferred
No
Name
C09326
Role
alias
Source
HERB_v2
Preferred
No
Name
C09326
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:2534
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:2534
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXCID20282846
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXCID20282846
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID70331752
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID70331752
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
AN GE LA BA JIAO FENGAngoIa AIangium*2-hydroxy-12-[(1R)-1-hydroxyethyl]-3-methoxy-5,6-dihydro-8H-isoquinolino[2,1-b][2,7]naphthyridin-8-one2-hydroxy-12-[(1R)-1-hydroxyethyl]-3-methoxy-5,6-dihydroisoquinolino[2,1-b][2,7]naphthyridin-8-one77156-18-4C09326CHEBI:2534DTXCID20282846DTXSID70331752
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN015030
Npass
NPC163012
Tcmid
828
Pub Chem
442157
Tcmbank
TCMBANKIN045286
Etcm Ingredient
Alamarine
Itcmdb Generated
ITX-INGREDIENT-4FE3A7724F1F
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C19H18N2O4/c1-10(22)14-8-20-9-15-13(14)6-16-12-7-17(23)18(25-2)5-11(12)3-4-21(16)19(15)24/h5-10,22-23H,3-4H2,1-2H3/t10-/m1/s1
Mol Wt
338.363
Mol Log P
2.387100000000001
In Ch Ikey
HDIPTJUHEOGXQC-SNVBAGLBSA-N
Tcm Name2
AN GE LA BA JIAO FENG
Mol2 Path
/TCM_database/2007_3d_all/00828.mol2
Reference
658
Num Hdonors
2
Tcm Name En
AngoIa AIangium*
Drug Likeness
0.749
Num Hacceptors
6
Isomeric Smiles
C[C@H](C1=C2C=C3C4=CC(=C(C=C4CCN3C(=O)C2=CN=C1)OC)O)O
Canonical Smiles
CC(C1=C2C=C3C4=CC(=C(C=C4CCN3C(=O)C2=CN=C1)OC)O)O
Herb Alias Names
77156-18-4CHEBI:25342-hydroxy-12-[(1R)-1-hydroxyethyl]-3-methoxy-5,6-dihydroisoquinolino[2,1-b][2,7]naphthyridin-8-oneDTXSID703317522-hydroxy-12-[(1R)-1-hydroxyethyl]-3-methoxy-5,6-dihydro-8H-isoquinolino[2,1-b][2,7]naphthyridin-8-one2-hydroxy-12-((1R)-1-hydroxyethyl)-3-methoxy-5,6-dihydro-8H-isoquinolino(2,1-b)(2,7)naphthyridin-8-one2-hydroxy-12-((1R)-1-hydroxyethyl)-3-methoxy-5,6-dihydroisoquinolino(2,1-b)(2,7)naphthyridin-8-oneC09326DTXCID20282846
Molecular Weight
338.130
Molecular Weight
338.4 g/mol
Molecular Formula
C19H18N2O4
Molecular Formula
C19H18N2O4
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.945
Quantitative Estimate Of Drug Likeness（Qed）
0.749