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
- 26508
- Core Entity Id
- 32653
- Source Entity Count
- 1
- Preferred Name
- Miraxanthin ii
- Name En
- Pubchem Id
- 135438592
- Smiles Canonical
- C1C(NC(=CC1=CC=NC(CC(=O)O)C(=O)O)C(=O)O)C(=O)O
- Molecular Formula
- C13H14N2O8
- Molecular Weight
- 326.2610
- Inchikey
- YHGOPYILBIAFGW-QUVVFZRVSA-N
- Inchi
- InChI=1S/C13H14N2O8/c16-10(17)5-7(11(18)19)14-2-1-6-3-8(12(20)21)15-9(4-6)13(22)23/h1-3,7,9,15H,4-5H2,(H,16,17)(H,18,19)(H,20,21)(H,22,23)/b6-1-,14-2?
- Isomeric Smiles
- C\1C(NC(=C/C1=C/C=NC(CC(=O)O)C(=O)O)C(=O)O)C(=O)O
- Cas Id
- Ob Score
- Mol Logp
- -0.6735
- Num H Donors
- 5
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 7
- Drug Likeness
- 0.3800
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Miraxanthin II
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Miraxanthin ii
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Miraxanthin ii
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
miraxanthin ii
Role
preferred
Source
TCMBank
Preferred
Yes
Name
5375-63-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
5375-63-3
Role
alias
Source
HERB_v2
Preferred
No
Name
C08555
Role
alias
Source
itcmdb_public
Preferred
No
Name
C08555
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:6946
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:6946
Role
alias
Source
itcmdb_public
Preferred
No
Name
Miraxanthin-II
Role
alias
Source
itcmdb_public
Preferred
No
Name
Miraxanthin-II
Role
alias
Source
HERB_v2
Preferred
No
Name
Q27107370
Role
alias
Source
HERB_v2
Preferred
No
Name
Q27107370
Role
alias
Source
itcmdb_public
Preferred
No
Name
紫金牛根; 紫茉莉根
Role
TCM_name
Source
TCMBank
Preferred
No
Name
ZI JIN NIU GEN; ZI MO LI GEN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Japanese Ardisia Root; Common Four-o’clock Root
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
5375-63-3C08555CHEBI:6946Miraxanthin-IIQ27107370紫金牛根; 紫茉莉根ZI JIN NIU GEN; ZI MO LI GENJapanese Ardisia Root; Common Four-o’clock Root
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN035576
Tcmid
14872
Pub Chem
135438592
Tcmbank
TCMBANKIN003939TCMBANKIN051917
Etcm Ingredient
Miraxanthin II
Itcmdb Generated
ITX-INGREDIENT-E025BC11E8EE
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C13H14N2O8/c16-10(17)5-7(11(18)19)14-2-1-6-3-8(12(20)21)15-9(4-6)13(22)23/h1-3,7,9,15H,4-5H2,(H,16,17)(H,18,19)(H,20,21)(H,22,23)/b6-1-,14-2?
Mol Wt
326.261
Smiles
C1C(NC(=CC1=CC=NC(CC(=O)O)C(=O)O)C(=O)O)C(=O)O
Mol Log P
-0.6734999999999993
In Ch Ikey
YHGOPYILBIAFGW-QUVVFZRVSA-N
Tcm Name
紫金牛根; 紫茉莉根
Tcm Name2
ZI JIN NIU GEN; ZI MO LI GEN
Mol2 Path
/TCM_database/2003_3d_all/5944.mol2
Reference
6, 658
Num Hdonors
5
Tcm Name En
Japanese Ardisia Root; Common Four-o’clock Root
Drug Likeness
0.38
Num Hacceptors
6
Isomeric Smiles
C\1C(NC(=C/C1=C/C=NC(CC(=O)O)C(=O)O)C(=O)O)C(=O)O
Canonical Smiles
C1C(NC(=CC1=CC=NC(CC(=O)O)C(=O)O)C(=O)O)C(=O)O
Herb Alias Names
Miraxanthin-II5375-63-3C08555CHEBI:6946Q27107370
Molecular Weight
326.080
Molecular Weight
326.26 g/mol
Molecular Formula
C13H14N2O8
Molecular Formula
C13H14N2O8
Molecular Formula
C13H14N2O8
Num Rotatable Bonds
7
Fda Maximum Daily Dose (Fdamdd)
0.129
Quantitative Estimate Of Drug Likeness（Qed）
0.305