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
- 38906
- Core Entity Id
- 68713
- Source Entity Count
- 1
- Preferred Name
- 1,6-dihydroxy-7-methoxyxanthone
- Name En
- Pubchem Id
- 85728427
- Smiles Canonical
- COC1=C(C=C2C(=C1)C(=O)C3=C(C=CC=C3O2)O)O
- Molecular Formula
- C14H10O5
- Molecular Weight
- 258.2290
- Inchikey
- ZPHCTBYBIZXYGV-UHFFFAOYSA-N
- Inchi
- InChI=1S/C14H10O5/c1-18-12-5-7-11(6-9(12)16)19-10-4-2-3-8(15)13(10)14(7)17/h2-6,15-16H,1H3
- Isomeric Smiles
- COC1=C(C=C2C(=C1)C(=O)C3=C(C=CC=C3O2)O)O
- Cas Id
- Ob Score
- Mol Logp
- 2.3660
- Num H Donors
- 2
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6550
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1,6-Dihydroxy-7-methoxyxanthone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1,6-Dihydroxy-7-methoxyxanthone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
1,6-dihydroxy-7-methoxyxanthone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
1,6-dihydroxy-7-methoxyxanthone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
台湾绿岛藤黄
Role
TCM_name
Source
TCMBank
Preferred
No
Name
TAI WAN LV DAO TENG HUANG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Lanyu Garcinia
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
台湾绿岛藤黄TAI WAN LV DAO TENG HUANGLanyu Garcinia
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN001874
Tcmid
6009
Pub Chem
85728427
Tcmbank
TCMBANKIN039451
Etcm Ingredient
1,6-Dihydroxy-7-methoxyxanthone
Itcmdb Generated
ITX-INGREDIENT-BA6503D6A75C
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C14H10O5/c1-18-12-5-7-11(6-9(12)16)19-10-4-2-3-8(15)13(10)14(7)17/h2-6,15-16H,1H3
Mol Wt
258.229
Mol Log P
2.366000000000001
In Ch Ikey
ZPHCTBYBIZXYGV-UHFFFAOYSA-N
Tcm Name
台湾绿岛藤黄
Tcm Name2
TAI WAN LV DAO TENG HUANG
Mol2 Path
/TCM_database/2007_3d_all/06010.mol2
Reference
4094
Num Hdonors
2
Tcm Name En
Lanyu Garcinia
Drug Likeness
0.655
Num Hacceptors
5
Isomeric Smiles
COC1=C(C=C2C(=C1)C(=O)C3=C(C=CC=C3O2)O)O
Canonical Smiles
COC1=C(C=C2C(=C1)C(=O)C3=C(C=CC=C3O2)O)O
Molecular Weight
258.050
Molecular Weight
258.23 g/mol
Molecular Formula
C14H10O5
Molecular Formula
C14H10O5
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.807
Quantitative Estimate Of Drug Likeness（Qed）
0.655