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
- 18488
- Core Entity Id
- 23727
- Source Entity Count
- 1
- Preferred Name
- Erycibenin c
- Name En
- Pubchem Id
- 44437743
- Smiles Canonical
- COC1=CC2=C(C=C1)C3C(CO2)(C4=CC5=C(C=C4O3)OCO5)OC
- Molecular Formula
- C18H16O6
- Molecular Weight
- 328.3200
- Inchikey
- KSCLRZILZVMUPZ-ZWKOTPCHSA-N
- Inchi
- InChI=1S/C18H16O6/c1-19-10-3-4-11-13(5-10)21-8-18(20-2)12-6-15-16(23-9-22-15)7-14(12)24-17(11)18/h3-7,17H,8-9H2,1-2H3/t17-,18+/m0/s1
- Isomeric Smiles
- COC1=CC2=C(C=C1)[C@H]3[C@@](CO2)(C4=CC5=C(C=C4O3)OCO5)OC
- Cas Id
- Ob Score
- Mol Logp
- 2.7917
- Num H Donors
- 0
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.8450
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Erycibenin C
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Erycibenin C
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Erycibenin c
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Erycibenin c
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
(1S,12S)-1,16-dimethoxy-5,7,11,19-tetraoxapentacyclo(10.8.0.02,10.04,8.013,18)icosa-2,4(8),9,13(18),14,16-hexaene
Role
alias
Source
HERB_v2
Preferred
No
Name
(1S,12S)-1,16-dimethoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaene
Role
alias
Source
itcmdb_public
Preferred
No
Name
857249-90-2
Role
alias
Source
HERB_v2
Preferred
No
Name
857249-90-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL240929
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL240929
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
广布丁公藤GUANG BU DING GONG TENGExpanse Erycibe*(1S,12S)-1,16-dimethoxy-5,7,11,19-tetraoxapentacyclo(10.8.0.02,10.04,8.013,18)icosa-2,4(8),9,13(18),14,16-hexaene(1S,12S)-1,16-dimethoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaene857249-90-2CHEMBL240929
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN025637
Npass
NPC174522
Tcmid
7301
Pub Chem
44437743
Tcmbank
TCMBANKIN037166
Etcm Ingredient
Erycibenin C
Itcmdb Generated
ITX-INGREDIENT-E502A2F735C3
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C18H16O6/c1-19-10-3-4-11-13(5-10)21-8-18(20-2)12-6-15-16(23-9-22-15)7-14(12)24-17(11)18/h3-7,17H,8-9H2,1-2H3/t17-,18+/m0/s1
Mol Wt
328.3200000000001
Mol Log P
2.791700000000001
In Ch Ikey
KSCLRZILZVMUPZ-ZWKOTPCHSA-N
Tcm Name
广布丁公藤
Tcm Name2
GUANG BU DING GONG TENG
Mol2 Path
/TCM_database/2007_3d_all/07302.mol2
Reference
4095
Num Hdonors
0
Tcm Name En
Expanse Erycibe*
Drug Likeness
0.845
Num Hacceptors
6
Isomeric Smiles
COC1=CC2=C(C=C1)[C@H]3[C@@](CO2)(C4=CC5=C(C=C4O3)OCO5)OC
Canonical Smiles
COC1=CC2=C(C=C1)C3C(CO2)(C4=CC5=C(C=C4O3)OCO5)OC
Herb Alias Names
(1S,12S)-1,16-dimethoxy-5,7,11,19-tetraoxapentacyclo(10.8.0.02,10.04,8.013,18)icosa-2,4(8),9,13(18),14,16-hexaene(1S,12S)-1,16-dimethoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaeneCHEMBL240929857249-90-2
Molecular Weight
328.090
Molecular Weight
328.3 g/mol
Molecular Formula
C18H16O6
Molecular Formula
C18H16O6
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.449
Quantitative Estimate Of Drug Likeness（Qed）
0.845