Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 2Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 16262
- Core Entity Id
- 21245
- Source Entity Count
- 1
- Preferred Name
- Daurichromene c
- Name En
- Pubchem Id
- 10450086
- Smiles Canonical
- CC1=CC(=C2C=CC(OC2=C1)(C)CCC=C(C)CC=CC(C)(C)O)O
- Molecular Formula
- C22H30O3
- Molecular Weight
- 342.4790
- Inchikey
- HNSJSAWPTOJTEL-MOAHZESKSA-N
- Inchi
- InChI=1S/C22H30O3/c1-16(8-6-11-21(3,4)24)9-7-12-22(5)13-10-18-19(23)14-17(2)15-20(18)25-22/h6,9-11,13-15,23-24H,7-8,12H2,1-5H3/b11-6-,16-9+/t22-/m1/s1
- Isomeric Smiles
- CC1=CC(=C2C=C[C@@](OC2=C1)(C)CC/C=C(\C)/C/C=C\C(C)(C)O)O
- Cas Id
- Ob Score
- Mol Logp
- 5.3086
- Num H Donors
- 2
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.6890
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Daurichromene C
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Daurichromene C
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Daurichromene C
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Daurichromene C
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Daurichromene c
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Daurichromene c
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
满山红
Role
TCM_name
Source
TCMBank
Preferred
No
Name
MAN SHAN HONG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Dahurian Rhododendron
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(2R)-2-((3E,6Z)-8-hydroxy-4,8-dimethylnona-3,6-dienyl)-2,7-dimethylchromen-5-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
(2R)-2-((3E,6Z)-8-hydroxy-4,8-dimethylnona-3,6-dienyl)-2,7-dimethylchromen-5-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL521071
Role
alias
Source
SymMap_v2
Preferred
No
Name
CHEMBL521071
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL521071
Role
alias
Source
TCMBank
Preferred
No
Name
CHEMBL521071
Role
alias
Source
HERB_v2
Preferred
No
Name
DAURICHROMENE C
Role
alias
Source
TCMBank
Preferred
No
Name
DAURICHROMENE C
Role
alias
Source
SymMap_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
满山红MAN SHAN HONGDahurian Rhododendron(2R)-2-((3E,6Z)-8-hydroxy-4,8-dimethylnona-3,6-dienyl)-2,7-dimethylchromen-5-olCHEMBL521071
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN022779
Npass
NPC137294
Tcmid
4682
Sym Map
SMIT14906
Pub Chem
10450086
Tcmbank
TCMBANKIN047871
Etcm Ingredient
Daurichromene C
Itcmdb Generated
ITX-INGREDIENT-A806FF5637F4
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C22H30O3/c1-16(8-6-11-21(3,4)24)9-7-12-22(5)13-10-18-19(23)14-17(2)15-20(18)25-22/h6,9-11,13-15,23-24H,7-8,12H2,1-5H3/b11-6-,16-9+/t22-/m1/s1
Mol Wt
342.479
Mol Log P
5.308620000000007
Version
v1,v2
In Ch Ikey
HNSJSAWPTOJTEL-MOAHZESKSA-N
Suppress
0
Tcm Name
满山红
Tcm Name2
MAN SHAN HONG
Mol2 Path
/TCM_database/2007_3d_all/04683.mol2
Reference
4755
Num Hdonors
2
Tcm Name En
Dahurian Rhododendron
Drug Likeness
0.689
Num Hacceptors
3
Isomeric Smiles
CC1=CC(=C2C=C[C@@](OC2=C1)(C)CC/C=C(\C)/C/C=C\C(C)(C)O)O
Canonical Smiles
CC1=CC(=C2C=CC(OC2=C1)(C)CCC=C(C)CC=CC(C)(C)O)O
Herb Alias Names
(2R)-2-((3E,6Z)-8-hydroxy-4,8-dimethylnona-3,6-dienyl)-2,7-dimethylchromen-5-ol(2R)-2-[(3E,6Z)-8-hydroxy-4,8-dimethylnona-3,6-dienyl]-2,7-dimethylchromen-5-olCHEMBL521071
Molecular Weight
342.220
Molecular Weight
342.5 g/mol
Molecule Formula
C22H30O3
Molecular Formula
C22H30O3
Molecular Formula
C22H30O3
Num Rotatable Bonds
6
Fda Maximum Daily Dose (Fdamdd)
0.715
Quantitative Estimate Of Drug Likeness（Qed）
0.689