Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 2861
- Core Entity Id
- 6370
- Source Entity Count
- 1
- Preferred Name
- (2s)-abyssinone ii
- Name En
- Pubchem Id
- 14218027
- Smiles Canonical
- CC(=CCC1=C(C=CC(=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)O)C
- Molecular Formula
- C20H20O5
- Molecular Weight
- 340.3750
- Inchikey
- CGKWSLSAYABZTL-UHFFFAOYSA-N
- Inchi
- InChI=1S/C20H20O5/c1-11(2)3-4-12-7-13(5-6-15(12)22)18-10-17(24)20-16(23)8-14(21)9-19(20)25-18/h3,5-9,18,21-23H,4,10H2,1-2H3
- Isomeric Smiles
- CC(=CCC1=C(C=CC(=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)O)C
- Cas Id
- Ob Score
- Mol Logp
- 4.0186
- Num H Donors
- 3
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.7350
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(2S)-Abyssinone II
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2S)-Abyssinone II
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(2s)-abyssinone ii
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(2s)-abyssinone ii
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
构树
Role
TCM_name
Source
TCMBank
Preferred
No
Name
GOU SHU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Common Papermulberry
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(S)-4',5,7-Trihydroxy-3'-prenylflavanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
(S)-4',5,7-Trihydroxy-3'-prenylflavanone
Role
alias
Source
HERB_v2
Preferred
No
Name
119240-82-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
119240-82-3
Role
alias
Source
HERB_v2
Preferred
No
Name
5,7-Dihydroxy-2-(4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl)chroman-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7-Dihydroxy-2-(4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl)chroman-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5,7-dihydroxy-2-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-3,4-dihydro-2H-1-benzopyran-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7-dihydroxy-2-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-3,4-dihydro-2H-1-benzopyran-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5,7-dihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5,7-dihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:174568
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:174568
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL457680
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL457680
Role
alias
Source
HERB_v2
Preferred
No
Name
Licoflavanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
Licoflavanone
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL3364539
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL3364539
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
构树GOU SHUCommon Papermulberry(S)-4',5,7-Trihydroxy-3'-prenylflavanone119240-82-35,7-Dihydroxy-2-(4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl)chroman-4-one5,7-dihydroxy-2-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-3,4-dihydro-2H-1-benzopyran-4-one5,7-dihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-oneCHEBI:174568CHEMBL457680LicoflavanoneSCHEMBL3364539
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN006795HBIN033100
Npass
NPC10937
Tcmid
1276651
Pub Chem
14218027
Tcmbank
TCMBANKIN042914TCMBANKIN058785
Etcm Ingredient
(2S)-Abyssinone II
Itcmdb Generated
ITX-INGREDIENT-974A44BE4B28ITX-INGREDIENT-B0D77981C35B
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H20O5/c1-11(2)3-4-12-7-13(5-6-15(12)22)18-10-17(24)20-16(23)8-14(21)9-19(20)25-18/h3,5-9,18,21-23H,4,10H2,1-2H3
Mol Wt
340.3750000000001
Smiles
CC(=CCC1=C(C=CC(=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)O)C
Mol Log P
4.018600000000004
In Ch Ikey
CGKWSLSAYABZTL-UHFFFAOYSA-N
Tcm Name
构树
Tcm Name2
GOU SHU
Mol2 Path
/TCM_database/2007_3d_all/00051.mol2
Reference
3090, 5038, 5247
Num Hdonors
3
Tcm Name En
Common Papermulberry
Drug Likeness
0.735
Num Hacceptors
5
Isomeric Smiles
CC(=CCC1=C(C=CC(=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)O)C
Canonical Smiles
CC(=CCC1=C(C=CC(=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)O)C
Herb Alias Names
Licoflavanone5,7-dihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-oneCHEMBL457680119240-82-3(S)-4',5,7-Trihydroxy-3'-prenylflavanone5,7-Dihydroxy-2-(4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl)chroman-4-one5,7-dihydroxy-2-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-3,4-dihydro-2H-1-benzopyran-4-oneSCHEMBL3364539CHEBI:174568
Molecular Weight
340.130
Molecular Weight
340.4 g/mol
Molecular Formula
C20H20O5
Molecular Formula
C20H20O5
Molecular Formula
C20H20O5
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.799
Quantitative Estimate Of Drug Likeness（Qed）
0.735