IngredientID 8871
8-hydroxy-2-methoxy-1,6-dimethyl-5-ethenyl-9,10-dihydrophenanthrene
C19H20O2
Relationship Network
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Herb: 1Ingredient: 1Target: 12Links: 13
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 8871
- Core Entity Id
- 13029
- Source Entity Count
- 1
- Preferred Name
- 8-hydroxy-2-methoxy-1,6-dimethyl-5-ethenyl-9,10-dihydrophenanthrene
- Name En
- Pubchem Id
- 85659818
- Smiles Canonical
- CC1=CC(=C2CCC3=C(C2=C1C=C)C=CC(=C3C)OC)O
- Molecular Formula
- C19H20O2
- Molecular Weight
- 280.3670
- Inchikey
- FTFJSGQVGZRUQT-UHFFFAOYSA-N
- Inchi
- InChI=1S/C19H20O2/c1-5-13-11(2)10-17(20)16-7-6-14-12(3)18(21-4)9-8-15(14)19(13)16/h5,8-10,20H,1,6-7H2,2-4H3
- Isomeric Smiles
- CC1=CC(=C2CCC3=C(C2=C1C=C)C=CC(=C3C)OC)O
- Cas Id
- Ob Score
- 32.6250
- Mol Logp
- 4.4262
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.8820
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
8-Hydroxy-2-Methoxy-1,6-Dimethyl-5-Ethenyl-9,10-Dihydrophenanthrene
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
8-Hydroxy-2-Methoxy-1,6-Dimethyl-5-Ethenyl-9,10-Dihydrophenanthrene
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
8-hydroxy-2-methoxy-1,6-dimethyl-5-ethenyl-9,10-dihydrophenanthrene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
8-hydroxy-2-methoxy-1,6-dimethyl-5-ethenyl-9,10-dihydrophenanthrene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
8-hydroxy-2-methoxy-1,6-dimethyl-5-ethenyl-9,10-dihydrophenanthrene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
8-hydroxy-2-methoxy-1,6-dimethyl-5-ethenyl-9,10-dihydrophenanthrene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN013760
Tcmsp
MOL007917
Sym Map
SMIT09267
Pub Chem
85659818
Tcmbank
TCMBANKIN024249
Etcm Ingredient
8-hydroxy-2-methoxy-1,6-dimethyl-5-ethenyl-9,10-dihydrophenanthrene
Itcmdb Generated
ITX-INGREDIENT-FFCBE55F0FB9
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C19H20O2/c1-5-13-11(2)10-17(20)16-7-6-14-12(3)18(21-4)9-8-15(14)19(13)16/h5,8-10,20H,1,6-7H2,2-4H3
Mol Wt
280.367
Mol Log P
4.426240000000004
Version
v1,v2
In Ch Ikey
FTFJSGQVGZRUQT-UHFFFAOYSA-N
Ob Score
32.6249609132.62496132.625
Suppress
0
Num Hdonors
1
Drug Likeness
0.882
Num Hacceptors
2
Isomeric Smiles
CC1=CC(=C2CCC3=C(C2=C1C=C)C=CC(=C3C)OC)O
Molecule Weight
280.39
Canonical Smiles
CC1=CC(=C2CCC3=C(C2=C1C=C)C=CC(=C3C)OC)O
Molecular Weight
280.150
Molecular Weight
280.39
Molecular Formula
C19H20O2
Molecular Formula
C19H20O2
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.879
Quantitative Estimate Of Drug Likeness（Qed）
0.882