Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 16779
- Core Entity Id
- 21820
- Source Entity Count
- 1
- Preferred Name
- Derricidin
- Name En
- Pubchem Id
- 5961410
- Smiles Canonical
- CC(=CCOC1=CC(=C(C=C1)C(=O)C=CC2=CC=CC=C2)O)C
- Molecular Formula
- C20H20O3
- Molecular Weight
- 308.3770
- Inchikey
- DGUGLZYULGVSIZ-DHZHZOJOSA-N
- Inchi
- InChI=1S/C20H20O3/c1-15(2)12-13-23-17-9-10-18(20(22)14-17)19(21)11-8-16-6-4-3-5-7-16/h3-12,14,22H,13H2,1-2H3/b11-8+
- Isomeric Smiles
- CC(=CCOC1=CC(=C(C=C1)C(=O)/C=C/C2=CC=CC=C2)O)C
- Cas Id
- Ob Score
- Mol Logp
- 4.6333
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.4800
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Derricidin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Derricidin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Derricidin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Derricidin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
红萼鸡血藤
Role
TCM_name
Source
TCMBank
Preferred
No
Name
HONG E JI XUE TENG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Redcalyx Millettia*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(E)-1-[2-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-3-phenylprop-2-en-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(E)-1-[2-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-3-phenylprop-2-en-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Propen-1-one, 1-(2-hydroxy-4-((3-methyl-2-butenyl)oxy)phenyl)-3-phenyl-, (E)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Propen-1-one, 1-(2-hydroxy-4-((3-methyl-2-butenyl)oxy)phenyl)-3-phenyl-, (E)-
Role
alias
Source
HERB_v2
Preferred
No
Name
38965-74-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
38965-74-1
Role
alias
Source
HERB_v2
Preferred
No
Name
51619-65-9
Role
alias
Source
HERB_v2
Preferred
No
Name
51619-65-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL450771
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL450771
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cordoin
Role
alias
Source
HERB_v2
Preferred
No
Name
Cordoin
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL18265486
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL18265486
Role
alias
Source
HERB_v2
Preferred
No
Name
substituted chalcone, 5a
Role
alias
Source
HERB_v2
Preferred
No
Name
substituted chalcone, 5a
Role
alias
Source
itcmdb_public
Preferred
No
Name
trans-1-(2-Hydroxy-4-((3-methyl-2-butenyl)oxy)phenyl)-3-phenyl-2-propen-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
trans-1-(2-Hydroxy-4-((3-methyl-2-butenyl)oxy)phenyl)-3-phenyl-2-propen-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
红萼鸡血藤HONG E JI XUE TENGRedcalyx Millettia*(E)-1-[2-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-3-phenylprop-2-en-1-one2-Propen-1-one, 1-(2-hydroxy-4-((3-methyl-2-butenyl)oxy)phenyl)-3-phenyl-, (E)-38965-74-151619-65-9CHEMBL450771CordoinSCHEMBL18265486substituted chalcone, 5atrans-1-(2-Hydroxy-4-((3-methyl-2-butenyl)oxy)phenyl)-3-phenyl-2-propen-1-one
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN023409
Npass
NPC240593
Tcmid
5220
Pub Chem
5961410
Tcmbank
TCMBANKIN041868
Etcm Ingredient
Derricidin
Itcmdb Generated
ITX-INGREDIENT-366A76A3D769
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H20O3/c1-15(2)12-13-23-17-9-10-18(20(22)14-17)19(21)11-8-16-6-4-3-5-7-16/h3-12,14,22H,13H2,1-2H3/b11-8+
Mol Wt
308.3770000000001
Mol Log P
4.633300000000005
In Ch Ikey
DGUGLZYULGVSIZ-DHZHZOJOSA-N
Tcm Name
红萼鸡血藤
Tcm Name2
HONG E JI XUE TENG
Mol2 Path
/TCM_database/2007_3d_all/05221.mol2
Reference
4624
Num Hdonors
1
Tcm Name En
Redcalyx Millettia*
Drug Likeness
0.48
Num Hacceptors
3
Isomeric Smiles
CC(=CCOC1=CC(=C(C=C1)C(=O)/C=C/C2=CC=CC=C2)O)C
Canonical Smiles
CC(=CCOC1=CC(=C(C=C1)C(=O)C=CC2=CC=CC=C2)O)C
Herb Alias Names
Cordoin38965-74-1(E)-1-[2-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-3-phenylprop-2-en-1-onesubstituted chalcone, 5a2-Propen-1-one, 1-(2-hydroxy-4-((3-methyl-2-butenyl)oxy)phenyl)-3-phenyl-, (E)-trans-1-(2-Hydroxy-4-((3-methyl-2-butenyl)oxy)phenyl)-3-phenyl-2-propen-1-one51619-65-9CHEMBL450771SCHEMBL18265486
Molecular Weight
308.140
Molecular Weight
308.4 g/mol
Molecular Formula
C20H20O3
Molecular Formula
C20H20O3
Num Rotatable Bonds
6
Fda Maximum Daily Dose (Fdamdd)
0.142
Quantitative Estimate Of Drug Likeness（Qed）
0.480