Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 4Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 39652
- Core Entity Id
- 75446
- Source Entity Count
- 1
- Preferred Name
- 1-methyl-5-vinyl-9,10-dihydrophenanthrene-2,7-diol
- Name En
- Pubchem Id
- 100801
- Smiles Canonical
- CC1=C(C=CC2=C1CCC3=C2C(=CC(=C3)O)C=C)O
- Molecular Formula
- C17H16O2
- Molecular Weight
- 252.3130
- Inchikey
- GEXAPRXWKRZPCK-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H16O2/c1-3-11-8-13(18)9-12-4-5-14-10(2)16(19)7-6-15(14)17(11)12/h3,6-9,18-19H,1,4-5H2,2H3
- Isomeric Smiles
- CC1=C(C=CC2=C1CCC3=C2C(=CC(=C3)O)C=C)O
- Cas Id
- 73166-28-6
- Ob Score
- 56.4326
- Mol Logp
- 3.8148
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.8100
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1-Methyl-5-Vinyl-9,10-Dihydrophenanthrene-2,7-Diol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
1-methyl-5-vinyl-9,10-dihydrophenanthrene-2,7-diol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
1-methyl-5-vinyl-9,10-dihydrophenanthrene-2,7-diol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1-methyl-5-vinyl-9,10-dihydrophenanthrene-2,7-diol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2,7-Phenanthrenediol, 5-ethenyl-9,10-dihydro-1-methyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
2,7-Phenanthrenediol, 5-ethenyl-9,10-dihydro-1-methyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-ethenyl-1-methyl-9,10-dihydrophenanthrene-2,7-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
5-ethenyl-1-methyl-9,10-dihydrophenanthrene-2,7-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
73166-28-6
Role
alias
Source
HERB_v2
Preferred
No
Name
73166-28-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL205119
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL205119
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID00223419
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID00223419
Role
alias
Source
itcmdb_public
Preferred
No
Name
EFFUSOL
Role
alias
Source
HERB_v2
Preferred
No
Name
EFFUSOL
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC 371300
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC-371300
Role
alias
Source
itcmdb_public
Preferred
No
Name
S436Y000RU
Role
alias
Source
HERB_v2
Preferred
No
Name
S436Y000RU
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-S436Y000RU
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-S436Y000RU
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-methyl-5-vinyl-9,10-dihydrophenanthrene-2,7-diol;effusol
Role
preferred
Source
TCMBank
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
2,7-Phenanthrenediol, 5-ethenyl-9,10-dihydro-1-methyl-5-ethenyl-1-methyl-9,10-dihydrophenanthrene-2,7-diol73166-28-6CHEMBL205119DTXSID00223419EFFUSOLNSC 371300NSC-371300S436Y000RUUNII-S436Y000RU1-methyl-5-vinyl-9,10-dihydrophenanthrene-2,7-diol;effusol
Cross References
Trusted external identifiers retained for this final record.
Cas
73166-28-6
Herb
HBIN002788HBIN024900
Npass
NPC95716
Tcmsp
MOL007910
Sym Map
SMIT09264
Tcm Id
4674
Pub Chem
100801
Tcmbank
TCMBANKIN059740
Etcm Ingredient
1-methyl-5-vinyl-9,10-dihydrophenanthrene-2,7-diol
Itcmdb Generated
ITX-INGREDIENT-47720935F6BC
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C17H16O2/c1-3-11-8-13(18)9-12-4-5-14-10(2)16(19)7-6-15(14)17(11)12/h3,6-9,18-19H,1,4-5H2,2H3
Mol Wt
252.313
Cas Id
73166-28-6
Smiles
CC1=C(C=CC2=C1CCC3=C2C(=CC(=C3)O)C=C)O
Mol Log P
3.814820000000003
Version
v1,v2
In Ch Ikey
GEXAPRXWKRZPCK-UHFFFAOYSA-N
Ob Score
56.4325922356.433
Suppress
0
Num Hdonors
2
Drug Likeness
0.81
Num Hacceptors
2
Isomeric Smiles
CC1=C(C=CC2=C1CCC3=C2C(=CC(=C3)O)C=C)O
Molecule Weight
252.33
Canonical Smiles
CC1=C(C=CC2=C1CCC3=C2C(=CC(=C3)O)C=C)O
Herb Alias Names
EFFUSOL73166-28-65-ethenyl-1-methyl-9,10-dihydrophenanthrene-2,7-diolNSC 3713002,7-Phenanthrenediol, 5-ethenyl-9,10-dihydro-1-methyl-NSC-371300UNII-S436Y000RUCHEMBL205119DTXSID00223419S436Y000RU
Molecular Weight
252.120
Molecular Weight
252.31
Molecular Formula
C17H16O2
Molecular Formula
C17H16O2
Molecular Formula
C17H16O2
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.896
Quantitative Estimate Of Drug Likeness（Qed）
0.810