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
- 18487
- Core Entity Id
- 23726
- Source Entity Count
- 1
- Preferred Name
- Erycibenin b
- Name En
- Pubchem Id
- 44437738
- Smiles Canonical
- CC(C)(C(CC1=C2C(=C(C=C1O)O)C(=O)C(=CO2)C3=CC=C(C=C3)O)O)O
- Molecular Formula
- C20H20O7
- Molecular Weight
- 372.3730
- Inchikey
- ZPPVCMASJXQQMG-INIZCTEOSA-N
- Inchi
- InChI=1S/C20H20O7/c1-20(2,26)16(24)7-12-14(22)8-15(23)17-18(25)13(9-27-19(12)17)10-3-5-11(21)6-4-10/h3-6,8-9,16,21-24,26H,7H2,1-2H3/t16-/m0/s1
- Isomeric Smiles
- CC(C)([C@H](CC1=C2C(=C(C=C1O)O)C(=O)C(=CO2)C3=CC=C(C=C3)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 2.2511
- Num H Donors
- 5
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.4750
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Erycibenin B
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Erycibenin B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Erycibenin b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Erycibenin b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
广布丁公藤
Role
TCM_name
Source
TCMBank
Preferred
No
Name
GUANG BU DING GONG TENG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Expanse Erycibe*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
857249-89-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
857249-89-9
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL427693
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL427693
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
广布丁公藤GUANG BU DING GONG TENGExpanse Erycibe*857249-89-9CHEMBL427693
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN025636
Npass
NPC222298
Tcmid
7300
Pub Chem
44437738
Tcmbank
TCMBANKIN048680
Etcm Ingredient
Erycibenin B
Itcmdb Generated
ITX-INGREDIENT-59FA7A11E532
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H20O7/c1-20(2,26)16(24)7-12-14(22)8-15(23)17-18(25)13(9-27-19(12)17)10-3-5-11(21)6-4-10/h3-6,8-9,16,21-24,26H,7H2,1-2H3/t16-/m0/s1
Mol Wt
372.373
Mol Log P
2.251100000000002
In Ch Ikey
ZPPVCMASJXQQMG-INIZCTEOSA-N
Tcm Name
广布丁公藤
Tcm Name2
GUANG BU DING GONG TENG
Mol2 Path
/TCM_database/2007_3d_all/07301.mol2
Reference
4095
Num Hdonors
5
Tcm Name En
Expanse Erycibe*
Drug Likeness
0.475
Num Hacceptors
7
Isomeric Smiles
CC(C)([C@H](CC1=C2C(=C(C=C1O)O)C(=O)C(=CO2)C3=CC=C(C=C3)O)O)O
Canonical Smiles
CC(C)(C(CC1=C2C(=C(C=C1O)O)C(=O)C(=CO2)C3=CC=C(C=C3)O)O)O
Herb Alias Names
CHEMBL427693857249-89-9
Molecular Weight
372.120
Molecular Formula
C20H20O7
Molecular Formula
C20H20O7
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.765
Quantitative Estimate Of Drug Likeness（Qed）
0.475