Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 2Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 18491
- Core Entity Id
- 23731
- Source Entity Count
- 1
- Preferred Name
- Erycristagallin
- Name En
- Pubchem Id
- 10362969
- Smiles Canonical
- CC(=CCC1=CC2=C(C=C1O)OCC3=C2OC4=C3C=CC(=C4CC=C(C)C)O)C
- Molecular Formula
- C25H26O4
- Molecular Weight
- 390.4790
- Inchikey
- VNTSSLCFFUCTNP-UHFFFAOYSA-N
- Inchi
- InChI=1S/C25H26O4/c1-14(2)5-7-16-11-19-23(12-22(16)27)28-13-20-17-9-10-21(26)18(8-6-15(3)4)24(17)29-25(19)20/h5-6,9-12,26-27H,7-8,13H2,1-4H3
- Isomeric Smiles
- CC(=CCC1=CC2=C(C=C1O)OCC3=C2OC4=C3C=CC(=C4CC=C(C)C)O)C
- Cas Id
- Ob Score
- Mol Logp
- 6.4208
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.5050
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Erycristagallin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Erycristagallin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Erycristagallin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Erycristagallin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
阿比西尼亚刺桐
Role
TCM_name
Source
TCMBank
Preferred
No
Name
A BI XI NI YA CI TONG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Abyssinia Coralbean*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
3,9-Dihydroxy-2,10-diprenylpterocarpene
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,9-Dihydroxy-2,10-diprenylpterocarpene
Role
alias
Source
HERB_v2
Preferred
No
Name
3,9-dihydroxy-2,10-diprenylpterocap-6a-ene
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,9-dihydroxy-2,10-diprenylpterocap-6a-ene
Role
alias
Source
HERB_v2
Preferred
No
Name
92533-56-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
92533-56-7
Role
alias
Source
HERB_v2
Preferred
No
Name
BDBM50292388
Role
alias
Source
itcmdb_public
Preferred
No
Name
BDBM50292388
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL462699
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL462699
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID301146614
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID301146614
Role
alias
Source
itcmdb_public
Preferred
No
Name
Erycrystagallin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Erycrystagallin
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPK12070146
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPK12070146
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL571693
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL571693
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
阿比西尼亚刺桐A BI XI NI YA CI TONGAbyssinia Coralbean*3,9-Dihydroxy-2,10-diprenylpterocarpene3,9-dihydroxy-2,10-diprenylpterocap-6a-ene92533-56-7BDBM50292388CHEMBL462699DTXSID301146614ErycrystagallinLMPK12070146SCHEMBL571693
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN025640
Npass
NPC213608
Tcmid
7303
Pub Chem
10362969
Tcmbank
TCMBANKIN047342
Etcm Ingredient
Erycristagallin
Itcmdb Generated
ITX-INGREDIENT-EA0D71FB85C2
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C25H26O4/c1-14(2)5-7-16-11-19-23(12-22(16)27)28-13-20-17-9-10-21(26)18(8-6-15(3)4)24(17)29-25(19)20/h5-6,9-12,26-27H,7-8,13H2,1-4H3
Mol Wt
390.4790000000002
Mol Log P
6.420800000000006
In Ch Ikey
VNTSSLCFFUCTNP-UHFFFAOYSA-N
Tcm Name
阿比西尼亚刺桐
Tcm Name2
A BI XI NI YA CI TONG
Mol2 Path
/TCM_database/2007_3d_all/07304.mol2
Reference
5420
Num Hdonors
2
Tcm Name En
Abyssinia Coralbean*
Drug Likeness
0.505
Num Hacceptors
4
Isomeric Smiles
CC(=CCC1=CC2=C(C=C1O)OCC3=C2OC4=C3C=CC(=C4CC=C(C)C)O)C
Canonical Smiles
CC(=CCC1=CC2=C(C=C1O)OCC3=C2OC4=C3C=CC(=C4CC=C(C)C)O)C
Herb Alias Names
ErycrystagallinCHEMBL4626993,9-Dihydroxy-2,10-diprenylpterocarpene3,9-dihydroxy-2,10-diprenylpterocap-6a-ene92533-56-7SCHEMBL571693DTXSID301146614BDBM50292388LMPK12070146
Molecular Weight
390.180
Molecular Weight
390.5 g/mol
Molecular Formula
C25H26O4
Molecular Formula
C25H26O4
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.235
Quantitative Estimate Of Drug Likeness（Qed）
0.505