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
- 18045
- Core Entity Id
- 23233
- Source Entity Count
- 1
- Preferred Name
- Encecalinol
- Name En
- Pubchem Id
- 3009229
- Smiles Canonical
- CC(C1=C(C=C2C(=C1)C=CC(O2)(C)C)OC)O
- Molecular Formula
- C14H18O3
- Molecular Weight
- 234.2950
- Inchikey
- ZMQPULSGBXIVGC-SECBINFHSA-N
- Inchi
- InChI=1S/C14H18O3/c1-9(15)11-7-10-5-6-14(2,3)17-12(10)8-13(11)16-4/h5-9,15H,1-4H3/t9-/m1/s1
- Isomeric Smiles
- C[C@H](C1=C(C=C2C(=C1)C=CC(O2)(C)C)OC)O
- Cas Id
- Ob Score
- Mol Logp
- 2.9327
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.8550
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Encecalinol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Encecalinol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Encecalinol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Encecalinol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
俯垂弗劳菊
Role
TCM_name
Source
TCMBank
Preferred
No
Name
FU CHUI FE LAO JU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Tarbush
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(1R)-1-(7-methoxy-2,2-dimethyl-chromen-6-yl)ethanol
Role
alias
Source
HERB_v2
Preferred
No
Name
(1R)-1-(7-methoxy-2,2-dimethyl-chromen-6-yl)ethanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
2H-1-Benzopyran-6-methanol, 7-methoxy-alpha,2,2-trimethyl-, (alphaR)-
Role
alias
Source
HERB_v2
Preferred
No
Name
2H-1-Benzopyran-6-methanol, 7-methoxy-alpha,2,2-trimethyl-, (alphaR)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
88728-56-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
88728-56-7
Role
alias
Source
HERB_v2
Preferred
No
Name
CS-0904268
Role
alias
Source
itcmdb_public
Preferred
No
Name
CS-0904268
Role
alias
Source
HERB_v2
Preferred
No
Name
EX-A8818
Role
alias
Source
HERB_v2
Preferred
No
Name
EX-A8818
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-N12405
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-N12405
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
俯垂弗劳菊FU CHUI FE LAO JUTarbush(1R)-1-(7-methoxy-2,2-dimethyl-chromen-6-yl)ethanol2H-1-Benzopyran-6-methanol, 7-methoxy-alpha,2,2-trimethyl-, (alphaR)-88728-56-7CS-0904268EX-A8818HY-N12405
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN025074
Tcmid
6796
Pub Chem
3009229
Tcmbank
TCMBANKIN043929
Etcm Ingredient
Encecalinol
Itcmdb Generated
ITX-INGREDIENT-41DE74951FEC
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C14H18O3/c1-9(15)11-7-10-5-6-14(2,3)17-12(10)8-13(11)16-4/h5-9,15H,1-4H3/t9-/m1/s1
Mol Wt
234.2949999999999
Mol Log P
2.932700000000002
In Ch Ikey
ZMQPULSGBXIVGC-SECBINFHSA-N
Tcm Name
俯垂弗劳菊
Tcm Name2
FU CHUI FE LAO JU
Mol2 Path
/TCM_database/2007_3d_all/06797.mol2
Reference
1521, 5472
Num Hdonors
1
Tcm Name En
Tarbush
Drug Likeness
0.855
Num Hacceptors
3
Isomeric Smiles
C[C@H](C1=C(C=C2C(=C1)C=CC(O2)(C)C)OC)O
Canonical Smiles
CC(C1=C(C=C2C(=C1)C=CC(O2)(C)C)OC)O
Herb Alias Names
88728-56-72H-1-Benzopyran-6-methanol, 7-methoxy-alpha,2,2-trimethyl-, (alphaR)-EX-A8818HY-N12405CS-0904268(1R)-1-(7-methoxy-2,2-dimethyl-chromen-6-yl)ethanol
Molecular Weight
234.130
Molecular Formula
C14H18O3
Molecular Formula
C14H18O3
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.887
Quantitative Estimate Of Drug Likeness（Qed）
0.855