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
- 29600
- Core Entity Id
- 36084
- Source Entity Count
- 1
- Preferred Name
- Phelligridin b
- Name En
- Pubchem Id
- 54729711
- Smiles Canonical
- COC(=O)C1=C(C=C(OC1=O)C=CC2=CC(=C(C=C2)O)O)O
- Molecular Formula
- C15H12O7
- Molecular Weight
- 304.2540
- Inchikey
- ONQOQEBOMCDRPX-DUXPYHPUSA-N
- Inchi
- InChI=1S/C15H12O7/c1-21-14(19)13-12(18)7-9(22-15(13)20)4-2-8-3-5-10(16)11(17)6-8/h2-7,16-18H,1H3/b4-2+
- Isomeric Smiles
- COC(=O)C1=C(C=C(OC1=O)/C=C/C2=CC(=C(C=C2)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 1.7136
- Num H Donors
- 3
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.5830
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Phelligridin B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Phelligridin B
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Phelligridin b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Phelligridin b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
桑黄
Role
TCM_name
Source
TCMBank
Preferred
No
Name
SANG HUANG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Phellinus igniarius
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
CHEMBL470046
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL470046
Role
alias
Source
HERB_v2
Preferred
No
Name
methyl 6-((E)-2-(3,4-dihydroxyphenyl)ethenyl)-4-hydroxy-2-oxopyran-3-carboxylate
Role
alias
Source
HERB_v2
Preferred
No
Name
methyl 6-((E)-2-(3,4-dihydroxyphenyl)ethenyl)-4-hydroxy-2-oxopyran-3-carboxylate
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
桑黄SANG HUANGPhellinus igniariusCHEMBL470046methyl 6-((E)-2-(3,4-dihydroxyphenyl)ethenyl)-4-hydroxy-2-oxopyran-3-carboxylate
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN039433
Npass
NPC241634
Tcmid
17046
Pub Chem
54729711
Tcmbank
TCMBANKIN040563
Etcm Ingredient
Phelligridin B
Itcmdb Generated
ITX-INGREDIENT-D27B40567F5F
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H12O7/c1-21-14(19)13-12(18)7-9(22-15(13)20)4-2-8-3-5-10(16)11(17)6-8/h2-7,16-18H,1H3/b4-2+
Mol Wt
304.254
Mol Log P
1.713600000000001
In Ch Ikey
ONQOQEBOMCDRPX-DUXPYHPUSA-N
Tcm Name
桑黄
Tcm Name2
SANG HUANG
Mol2 Path
/TCM_database/2007_3d_all/17060.mol2
Reference
4747
Num Hdonors
3
Tcm Name En
Phellinus igniarius
Drug Likeness
0.583
Num Hacceptors
7
Isomeric Smiles
COC(=O)C1=C(C=C(OC1=O)/C=C/C2=CC(=C(C=C2)O)O)O
Canonical Smiles
COC(=O)C1=C(C=C(OC1=O)C=CC2=CC(=C(C=C2)O)O)O
Herb Alias Names
methyl 6-((E)-2-(3,4-dihydroxyphenyl)ethenyl)-4-hydroxy-2-oxopyran-3-carboxylatemethyl 6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy-2-oxopyran-3-carboxylateCHEMBL470046
Molecular Weight
304.060
Molecular Weight
304.25 g/mol
Molecular Formula
C15H12O7
Molecular Formula
C15H12O7
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.111
Quantitative Estimate Of Drug Likeness（Qed）
0.583