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
- 16114
- Core Entity Id
- 21080
- Source Entity Count
- 1
- Preferred Name
- Dalbergiphenol
- Name En
- Pubchem Id
- 44446855
- Smiles Canonical
- COC1=CC(=C(C=C1C(C=C)C2=CC=CC=C2)O)OC
- Molecular Formula
- C17H18O3
- Molecular Weight
- 270.3280
- Inchikey
- SLLCQEPKLKMZKP-ZDUSSCGKSA-N
- Inchi
- InChI=1S/C17H18O3/c1-4-13(12-8-6-5-7-9-12)14-10-15(18)17(20-3)11-16(14)19-2/h4-11,13,18H,1H2,2-3H3/t13-/m0/s1
- Isomeric Smiles
- COC1=CC(=C(C=C1[C@@H](C=C)C2=CC=CC=C2)O)OC
- Cas Id
- Ob Score
- Mol Logp
- 3.7273
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.8410
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(-)-dalbergiphenol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Dalbergiphenol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Dalbergiphenol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Dalbergiphenol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
交趾黄檀
Role
TCM_name
Source
TCMBank
Preferred
No
Name
JIAO ZHI HUANG TAN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Siam Rosewood
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(-)-Dalbergiphenol
Role
alias
Source
HERB_v2
Preferred
No
Name
(-)-Dalbergiphenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(7S)-dalbergiphenol
Role
alias
Source
HERB_v2
Preferred
No
Name
(7S)-dalbergiphenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(S)-2,4-Dimethoxy-5-(1-phenylallyl)phenol
Role
alias
Source
HERB_v2
Preferred
No
Name
(S)-2,4-Dimethoxy-5-(1-phenylallyl)phenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,4-Dimethoxy-5-[(1S)-1-phenylprop-2-enyl]phenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,4-Dimethoxy-5-[(1S)-1-phenylprop-2-enyl]phenol
Role
alias
Source
HERB_v2
Preferred
No
Name
52811-31-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
52811-31-1
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040761563
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040761563
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL252862
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL252862
Role
alias
Source
HERB_v2
Preferred
No
Name
DB-292265
Role
alias
Source
itcmdb_public
Preferred
No
Name
DB-292265
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-N8754
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-N8754
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(-)-dalbergiphenol交趾黄檀JIAO ZHI HUANG TANSiam Rosewood(7S)-dalbergiphenol(S)-2,4-Dimethoxy-5-(1-phenylallyl)phenol2,4-Dimethoxy-5-[(1S)-1-phenylprop-2-enyl]phenol52811-31-1AKOS040761563CHEMBL252862DB-292265HY-N8754
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN022588
Npass
NPC12275
Tcmid
4609
Pub Chem
4444685544559636
Tcmbank
TCMBANKIN045949
Etcm Ingredient
(-)-dalbergiphenol
Itcmdb Generated
ITX-INGREDIENT-83973D6699AB
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H18O3/c1-4-13(12-8-6-5-7-9-12)14-10-15(18)17(20-3)11-16(14)19-2/h4-11,13,18H,1H2,2-3H3/t13-/m0/s1
Mol Wt
270.328
Mol Log P
3.727300000000004
In Ch Ikey
SLLCQEPKLKMZKP-ZDUSSCGKSA-N
Tcm Name
交趾黄檀
Tcm Name2
JIAO ZHI HUANG TAN
Mol2 Path
/TCM_database/2007_3d_all/04610.mol2
Reference
4716
Num Hdonors
1
Tcm Name En
Siam Rosewood
Drug Likeness
0.841
Num Hacceptors
3
Isomeric Smiles
COC1=CC(=C(C=C1[C@@H](C=C)C2=CC=CC=C2)O)OC
Canonical Smiles
COC1=CC(=C(C=C1C(C=C)C2=CC=CC=C2)O)OC
Herb Alias Names
52811-31-1(7S)-dalbergiphenol2,4-Dimethoxy-5-[(1S)-1-phenylprop-2-enyl]phenol(S)-2,4-Dimethoxy-5-(1-phenylallyl)phenol(-)-DalbergiphenolCHEMBL252862HY-N8754AKOS040761563DB-292265
Molecular Weight
270.130
Molecular Weight
270.32 g/mol
Molecular Formula
C17H18O3
Molecular Formula
C17H18O3
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.966
Quantitative Estimate Of Drug Likeness（Qed）
0.841