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
- 18499
- Core Entity Id
- 23740
- Source Entity Count
- 1
- Preferred Name
- Erypoegin e
- Name En
- Pubchem Id
- 636548
- Smiles Canonical
- CC(=CCC1=C(C=CC2=C1OCC3=C2OC4=C3C=CC(=C4)O)O)C
- Molecular Formula
- C20H18O4
- Molecular Weight
- 322.3600
- Inchikey
- VREXGHBHPUSDKC-UHFFFAOYSA-N
- Inchi
- InChI=1S/C20H18O4/c1-11(2)3-5-14-17(22)8-7-15-19(14)23-10-16-13-6-4-12(21)9-18(13)24-20(15)16/h3-4,6-9,21-22H,5,10H2,1-2H3
- Isomeric Smiles
- CC(=CCC1=C(C=CC2=C1OCC3=C2OC4=C3C=CC(=C4)O)O)C
- Cas Id
- Ob Score
- Mol Logp
- 4.9121
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.6580
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Erypoegin E
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Erypoegin e
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Erypoegin e
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
山地刺桐
Role
TCM_name
Source
TCMBank
Preferred
No
Name
SHAN DI CI TONG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Mountain Immortelle
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
3,9-Dihydroxy-4-(gamma,gamma-dimethylallyl)pterocarpene
Role
alias
Source
HERB_v2
Preferred
No
Name
3,9-Dihydroxy-4-(gamma,gamma-dimethylallyl)pterocarpene
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-(3-Methyl-but-2-enyl)-6H-benzo(4,5)furo(3,2-c)chromene-3,9-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-(3-Methyl-but-2-enyl)-6H-benzo[4,5]furo[3,2-c]chromene-3,9-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
4-(3-methylbut-2-en-1-yl)-6H-(1)benzofuro(3,2-c)chromene-3,9-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-(3-methylbut-2-en-1-yl)-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
4-(3-methylbut-2-enyl)-6H-(1)benzofuro(3,2-c)chromene-3,9-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
6H-benzofuro[3,2-c][1]benzopyran-3,9-diol, 4-(3-methyl-2-butenyl)-
Role
alias
Source
HERB_v2
Preferred
No
Name
6H-benzofuro[3,2-c][1]benzopyran-3,9-diol, 4-(3-methyl-2-butenyl)-
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
山地刺桐SHAN DI CI TONGMountain Immortelle3,9-Dihydroxy-4-(gamma,gamma-dimethylallyl)pterocarpene4-(3-Methyl-but-2-enyl)-6H-benzo(4,5)furo(3,2-c)chromene-3,9-diol4-(3-Methyl-but-2-enyl)-6H-benzo[4,5]furo[3,2-c]chromene-3,9-diol4-(3-methylbut-2-en-1-yl)-6H-(1)benzofuro(3,2-c)chromene-3,9-diol4-(3-methylbut-2-en-1-yl)-6H-[1]benzofuro[3,2-c]chromene-3,9-diol4-(3-methylbut-2-enyl)-6H-(1)benzofuro(3,2-c)chromene-3,9-diol4-(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,9-diol6H-benzofuro[3,2-c][1]benzopyran-3,9-diol, 4-(3-methyl-2-butenyl)-
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN025649
Npass
NPC103524
Tcmid
7310
Pub Chem
636548
Tcmbank
TCMBANKIN050245
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H18O4/c1-11(2)3-5-14-17(22)8-7-15-19(14)23-10-16-13-6-4-12(21)9-18(13)24-20(15)16/h3-4,6-9,21-22H,5,10H2,1-2H3
Mol Wt
322.36
Mol Log P
4.912100000000004
In Ch Ikey
VREXGHBHPUSDKC-UHFFFAOYSA-N
Tcm Name
山地刺桐
Tcm Name2
SHAN DI CI TONG
Mol2 Path
/TCM_database/2007_3d_all/07311.mol2
Reference
1972
Num Hdonors
2
Tcm Name En
Mountain Immortelle
Drug Likeness
0.658
Num Hacceptors
4
Isomeric Smiles
CC(=CCC1=C(C=CC2=C1OCC3=C2OC4=C3C=CC(=C4)O)O)C
Canonical Smiles
CC(=CCC1=C(C=CC2=C1OCC3=C2OC4=C3C=CC(=C4)O)O)C
Herb Alias Names
4-(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,9-diol4-(3-Methyl-but-2-enyl)-6H-benzo[4,5]furo[3,2-c]chromene-3,9-diol4-(3-methylbut-2-en-1-yl)-6H-[1]benzofuro[3,2-c]chromene-3,9-diol6H-benzofuro[3,2-c][1]benzopyran-3,9-diol, 4-(3-methyl-2-butenyl)-4-(3-methylbut-2-enyl)-6H-(1)benzofuro(3,2-c)chromene-3,9-diol4-(3-Methyl-but-2-enyl)-6H-benzo(4,5)furo(3,2-c)chromene-3,9-diol4-(3-methylbut-2-en-1-yl)-6H-(1)benzofuro(3,2-c)chromene-3,9-diol6H-benzofuro(3,2-c)(1)benzopyran-3,9-diol, 4-(3-methyl-2-butenyl)-3,9-Dihydroxy-4-(gamma,gamma-dimethylallyl)pterocarpene
Molecular Weight
322.4 g/mol
Molecular Formula
C20H18O4
Num Rotatable Bonds
2