Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 7197
- Core Entity Id
- 11181
- Source Entity Count
- 1
- Preferred Name
- 5'-prenylhomoeriodictyol
- Name En
- Pubchem Id
- 442457
- Smiles Canonical
- CC(=CCC1=C(C(=CC(=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)OC)O)C
- Molecular Formula
- C21H22O6
- Molecular Weight
- 370.4010
- Inchikey
- UQFQODVSORPELA-KRWDZBQOSA-N
- Inchi
- InChI=1S/C21H22O6/c1-11(2)4-5-12-6-13(7-19(26-3)21(12)25)17-10-16(24)20-15(23)8-14(22)9-18(20)27-17/h4,6-9,17,22-23,25H,5,10H2,1-3H3/t17-/m0/s1
- Isomeric Smiles
- CC(=CCC1=C(C(=CC(=C1)[C@@H]2CC(=O)C3=C(C=C(C=C3O2)O)O)OC)O)C
- Cas Id
- Ob Score
- Mol Logp
- 4.0272
- Num H Donors
- 3
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.7030
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
5'-prenylhomoeriodictyol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
5'-prenylhomoeriodictyol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
5'-prenylhomoeriodictyol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(2S)-5,7-dihydroxy-2-[4-hydroxy-3-methoxy-5-(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S)-5,7-dihydroxy-2-[4-hydroxy-3-methoxy-5-(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
671781-82-1
Role
alias
Source
HERB_v2
Preferred
No
Name
671781-82-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
Abyssinoflavanone II
Role
alias
Source
HERB_v2
Preferred
No
Name
Abyssinoflavanone II
Role
alias
Source
itcmdb_public
Preferred
No
Name
BDBM50212397
Role
alias
Source
HERB_v2
Preferred
No
Name
BDBM50212397
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL388722
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL388722
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID10331832
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID10331832
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMPK12140439
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPK12140439
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL4743888
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL4743888
Role
alias
Source
itcmdb_public
Preferred
No
Name
abyssinin II
Role
alias
Source
HERB_v2
Preferred
No
Name
abyssinin II
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2S)-5,7-dihydroxy-2-[4-hydroxy-3-methoxy-5-(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one671781-82-1Abyssinoflavanone IIBDBM50212397CHEMBL388722DTXSID10331832LMPK12140439SCHEMBL4743888abyssinin II
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN011885
Npass
NPC200761
Tcmid
17819
Pub Chem
442457
Tcmbank
TCMBANKIN046482
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C21H22O6/c1-11(2)4-5-12-6-13(7-19(26-3)21(12)25)17-10-16(24)20-15(23)8-14(22)9-18(20)27-17/h4,6-9,17,22-23,25H,5,10H2,1-3H3/t17-/m0/s1
Mol Wt
370.4010000000001
Smiles
CC(=CCC1=C(C(=CC(=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)OC)O)C
Mol Log P
4.027200000000003
In Ch Ikey
UQFQODVSORPELA-KRWDZBQOSA-N
Mol2 Path
/TCM_database/2007_3d_all/17833.mol2
Reference
658
Num Hdonors
3
Drug Likeness
0.703
Num Hacceptors
6
Isomeric Smiles
CC(=CCC1=C(C(=CC(=C1)[C@@H]2CC(=O)C3=C(C=C(C=C3O2)O)O)OC)O)C
Canonical Smiles
CC(=CCC1=C(C(=CC(=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)OC)O)C
Herb Alias Names
abyssinin IIAbyssinoflavanone IICHEMBL388722671781-82-1SCHEMBL4743888DTXSID10331832BDBM50212397LMPK12140439(2S)-5,7-dihydroxy-2-[4-hydroxy-3-methoxy-5-(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one
Molecular Weight
370.4 g/mol
Molecular Formula
C21H22O6
Molecular Formula
C21H22O6
Num Rotatable Bonds
4