Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 13Links: 14
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 39034
- Core Entity Id
- 70014
- Source Entity Count
- 1
- Preferred Name
- 1,7-dimethyl-5-vinyl-9,10-dihydrophenanthrene-2,3-diol
- Name En
- Pubchem Id
- 10264910
- Smiles Canonical
- CC1=CC2=C(C(=C1)C=C)C3=CC(=C(C(=C3CC2)C)O)O
- Molecular Formula
- C18H18O2
- Molecular Weight
- 266.3400
- Inchikey
- LDRFXJAPLMVFRQ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C18H18O2/c1-4-12-7-10(2)8-13-5-6-14-11(3)18(20)16(19)9-15(14)17(12)13/h4,7-9,19-20H,1,5-6H2,2-3H3
- Isomeric Smiles
- CC1=CC2=C(C(=C1)C=C)C3=CC(=C(C(=C3CC2)C)O)O
- Cas Id
- Ob Score
- 22.0720
- Mol Logp
- 4.1232
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.7620
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1,7-Dimethyl-5-Vinyl-9,10-Dihydrophenanthrene-2,3-Diol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
1,7-Dimethyl-5-Vinyl-9,10-Dihydrophenanthrene-2,3-Diol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
1,7-dimethyl-5-vinyl-9,10-dihydrophenanthrene-2,3-diol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
1,7-dimethyl-5-vinyl-9,10-dihydrophenanthrene-2,3-diol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1,7-dimethyl-5-vinyl-9,10-dihydrophenanthrene-2,3-diol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1,7-dimethyl-5-vinyl-9,10-dihydrophenanthrene-2,3-diol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
5-ethenyl-1,7-dimethyl-9,10-dihydrophenanthrene-2,3-diol
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
5-ethenyl-1,7-dimethyl-9,10-dihydrophenanthrene-2,3-diol
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN002025
Tcmsp
MOL007896
Sym Map
SMIT09252
Pub Chem
10264910
Tcmbank
TCMBANKIN028456
Etcm Ingredient
1,7-dimethyl-5-vinyl-9,10-dihydrophenanthrene-2,3-diol
Itcmdb Generated
ITX-INGREDIENT-F4C9F3EC16F8
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C18H18O2/c1-4-12-7-10(2)8-13-5-6-14-11(3)18(20)16(19)9-15(14)17(12)13/h4,7-9,19-20H,1,5-6H2,2-3H3
Mol Wt
266.3399999999999
Mol Log P
4.123240000000004
Version
v1,v2
In Ch Ikey
LDRFXJAPLMVFRQ-UHFFFAOYSA-N
Ob Score
22.07222.07242222.07242247
Suppress
0
Num Hdonors
2
Drug Likeness
0.762
Num Hacceptors
2
Isomeric Smiles
CC1=CC2=C(C(=C1)C=C)C3=CC(=C(C(=C3CC2)C)O)O
Molecule Weight
266.36
Canonical Smiles
CC1=CC2=C(C(=C1)C=C)C3=CC(=C(C(=C3CC2)C)O)O
Molecular Weight
266.130
Molecular Weight
266.36
Molecular Formula
C18H18O2
Molecular Formula
C18H18O2
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.915
Quantitative Estimate Of Drug Likeness（Qed）
0.762