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
- 18579
- Core Entity Id
- 23828
- Source Entity Count
- 1
- Preferred Name
- Eryvarin f
- Name En
- Eryvarin F
- Pubchem Id
- 637295
- Smiles Canonical
- CC(=CCC1=CC2=C(C(=C1O)CC=C(C)C)OC=C(C2=O)OC3=C(C=C(C=C3)O)O)C
- Molecular Formula
- C25H26O6
- Molecular Weight
- 422.4770
- Inchikey
- JHEJXUTWJYYRFP-UHFFFAOYSA-N
- Inchi
- InChI=1S/C25H26O6/c1-14(2)5-7-16-11-19-24(29)22(31-21-10-8-17(26)12-20(21)27)13-30-25(19)18(23(16)28)9-6-15(3)4/h5-6,8,10-13,26-28H,7,9H2,1-4H3
- Isomeric Smiles
- CC(=CCC1=CC2=C(C(=C1O)CC=C(C)C)OC=C(C2=O)OC3=C(C=C(C=C3)O)O)C
- Cas Id
- Ob Score
- Mol Logp
- 5.7195
- Num H Donors
- 3
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.4390
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Eryvarin F
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Eryvarin F
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Eryvarin f
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Eryvarin f
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
刺桐
Role
TCM_name
Source
TCMBank
Preferred
No
Name
CI TONG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Coral-tree
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
3-(2,4-Dihydroxy-phenoxy)-7-hydroxy-6,8-bis-(3-methyl-but-2-enyl)-chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-(2,4-dihydroxyphenoxy)-7-hydroxy-6,8-bis(3-methylbut-2-en-1-yl)-4H-chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-(2,4-dihydroxyphenoxy)-7-hydroxy-6,8-bis(3-methylbut-2-en-1-yl)-4H-chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
3-(2,4-dihydroxyphenoxy)-7-hydroxy-6,8-bis(3-methylbut-2-enyl)chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
3-(2,4-dihydroxyphenoxy)-7-hydroxy-6,8-di(3,3-dimethylallyl)chromen-4-on
Role
alias
Source
HERB_v2
Preferred
No
Name
3-(2,4-dihydroxyphenoxy)-7-hydroxy-6,8-di(3,3-dimethylallyl)chromen-4-on
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-(2,4-dihydroxyphenoxy)-7-hydroxy-6,8-di(3,3-dimethylallyl)chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
3-(2,4-dihydroxyphenoxy)-7-hydroxy-6,8-di(3,3-dimethylallyl)chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
4H-1-benzopyran-4-one, 3-(2,4-dihydroxyphenoxy)-7-hydroxy-6,8-bis(3-methyl-2-butenyl)-
Role
alias
Source
HERB_v2
Preferred
No
Name
4H-1-benzopyran-4-one, 3-(2,4-dihydroxyphenoxy)-7-hydroxy-6,8-bis(3-methyl-2-butenyl)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
568564-59-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
568564-59-0
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
刺桐CI TONGCoral-tree3-(2,4-Dihydroxy-phenoxy)-7-hydroxy-6,8-bis-(3-methyl-but-2-enyl)-chromen-4-one3-(2,4-dihydroxyphenoxy)-7-hydroxy-6,8-bis(3-methylbut-2-en-1-yl)-4H-chromen-4-one3-(2,4-dihydroxyphenoxy)-7-hydroxy-6,8-bis(3-methylbut-2-enyl)chromen-4-one3-(2,4-dihydroxyphenoxy)-7-hydroxy-6,8-di(3,3-dimethylallyl)chromen-4-on3-(2,4-dihydroxyphenoxy)-7-hydroxy-6,8-di(3,3-dimethylallyl)chromen-4-one4H-1-benzopyran-4-one, 3-(2,4-dihydroxyphenoxy)-7-hydroxy-6,8-bis(3-methyl-2-butenyl)-568564-59-0
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN025737
Npass
NPC204776
Tcmid
7349
Pub Chem
637295
Tcmbank
TCMBANKIN047769
Etcm Ingredient
Eryvarin F
Itcmdb Generated
ITX-INGREDIENT-755944F71D17
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C25H26O6/c1-14(2)5-7-16-11-19-24(29)22(31-21-10-8-17(26)12-20(21)27)13-30-25(19)18(23(16)28)9-6-15(3)4/h5-6,8,10-13,26-28H,7,9H2,1-4H3
Mol Wt
422.4770000000001
Mol Log P
5.719500000000005
In Ch Ikey
JHEJXUTWJYYRFP-UHFFFAOYSA-N
Tcm Name
刺桐
Tcm Name2
CI TONG
Mol2 Path
/TCM_database/2007_3d_all/07350.mol2
Reference
2040
Num Hdonors
3
Tcm Name En
Coral-tree
Drug Likeness
0.439
Num Hacceptors
6
Isomeric Smiles
CC(=CCC1=CC2=C(C(=C1O)CC=C(C)C)OC=C(C2=O)OC3=C(C=C(C=C3)O)O)C
Canonical Smiles
CC(=CCC1=CC2=C(C(=C1O)CC=C(C)C)OC=C(C2=O)OC3=C(C=C(C=C3)O)O)C
Herb Alias Names
3-(2,4-dihydroxyphenoxy)-7-hydroxy-6,8-bis(3-methylbut-2-enyl)chromen-4-one3-(2,4-dihydroxyphenoxy)-7-hydroxy-6,8-di(3,3-dimethylallyl)chromen-4-one3-(2,4-Dihydroxy-phenoxy)-7-hydroxy-6,8-bis-(3-methyl-but-2-enyl)-chromen-4-one3-(2,4-dihydroxyphenoxy)-7-hydroxy-6,8-bis(3-methylbut-2-en-1-yl)-4H-chromen-4-one4H-1-benzopyran-4-one, 3-(2,4-dihydroxyphenoxy)-7-hydroxy-6,8-bis(3-methyl-2-butenyl)-3-(2,4-dihydroxyphenoxy)-7-hydroxy-6,8-di(3,3-dimethylallyl)chromen-4-on568564-59-0
Molecular Weight
422.170
Molecular Weight
422.5 g/mol
Molecular Formula
C25H26O6
Molecular Formula
C25H26O6
Num Rotatable Bonds
6
Fda Maximum Daily Dose (Fdamdd)
0.649
Quantitative Estimate Of Drug Likeness（Qed）
0.439