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
- 13103
- Core Entity Id
- 17733
- Source Entity Count
- 1
- Preferred Name
- Buchanaxanthone
- Name En
- Pubchem Id
- 5481840
- Smiles Canonical
- COC1=C(C=CC2=C1OC3=CC=CC(=C3C2=O)O)O
- Molecular Formula
- C14H10O5
- Molecular Weight
- 258.2290
- Inchikey
- VTZRTHPAURPVRE-UHFFFAOYSA-N
- Inchi
- InChI=1S/C14H10O5/c1-18-14-9(16)6-5-7-12(17)11-8(15)3-2-4-10(11)19-13(7)14/h2-6,15-16H,1H3
- Isomeric Smiles
- COC1=C(C=CC2=C1OC3=CC=CC(=C3C2=O)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
Buchanaxanthone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Buchanaxanthone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Buchanaxanthone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Buchanaxanthone
Role
preferred
Source
itcmdb_public
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
Name
1,6-Dihydroxy-5-methoxy-xanthen-9-one
Role
alias
Source
HERB_v2
Preferred
No
Name
1,6-Dihydroxy-5-methoxy-xanthen-9-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,6-Dihydroxy-5-methoxyxanthone
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,6-Dihydroxy-5-methoxyxanthone
Role
alias
Source
HERB_v2
Preferred
No
Name
NCGC00385584-01!1,6-dihydroxy-5-methoxyxanthen-9-one
Role
alias
Source
HERB_v2
Preferred
No
Name
NCGC00385584-01!1,6-dihydroxy-5-methoxyxanthen-9-one
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
台湾绿岛藤黄TAI WAN LV DAO TENG HUANGLanyu Garcinia1,6-Dihydroxy-5-methoxy-xanthen-9-one1,6-Dihydroxy-5-methoxyxanthoneNCGC00385584-01!1,6-dihydroxy-5-methoxyxanthen-9-one
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN018954
Npass
NPC184234
Tcmid
2694
Pub Chem
5481840
Tcmbank
TCMBANKIN049793
Etcm Ingredient
Buchanaxanthone
Itcmdb Generated
ITX-INGREDIENT-890F094E659A
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C14H10O5/c1-18-14-9(16)6-5-7-12(17)11-8(15)3-2-4-10(11)19-13(7)14/h2-6,15-16H,1H3
Mol Wt
258.229
Mol Log P
2.366000000000001
In Ch Ikey
VTZRTHPAURPVRE-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/02694.mol2
Reference
660, 4094
Num Hdonors
2
Tcm Name En
Lanyu Garcinia
Drug Likeness
0.655
Num Hacceptors
5
Isomeric Smiles
COC1=C(C=CC2=C1OC3=CC=CC(=C3C2=O)O)O
Canonical Smiles
COC1=C(C=CC2=C1OC3=CC=CC(=C3C2=O)O)O
Herb Alias Names
1,6-Dihydroxy-5-methoxyxanthone1,6-Dihydroxy-5-methoxy-xanthen-9-oneNCGC00385584-01!1,6-dihydroxy-5-methoxyxanthen-9-one
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)
0.110
Quantitative Estimate Of Drug Likeness（Qed）
0.655