Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 1961
- Core Entity Id
- 5368
- Source Entity Count
- 1
- Preferred Name
- 2-hydroxy-3,7-dimethoxyphenanthrene
- Name En
- Pubchem Id
- 13831038
- Smiles Canonical
- COC1=CC2=C(C=C1)C3=CC(=C(C=C3C=C2)O)OC
- Molecular Formula
- C16H14O3
- Molecular Weight
- 254.2850
- Inchikey
- UCVNCEXOYIMYFV-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H14O3/c1-18-12-5-6-13-10(7-12)3-4-11-8-15(17)16(19-2)9-14(11)13/h3-9,17H,1-2H3
- Isomeric Smiles
- COC1=CC2=C(C=C1)C3=CC(=C(C=C3C=C2)O)OC
- Cas Id
- Ob Score
- Mol Logp
- 3.7158
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.7080
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-Hydroxy-3,7-dimethoxyphenanthrene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2-hydroxy-3,7-dimethoxyphenanthrene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2-hydroxy-3,7-dimethoxyphenanthrene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-hydroxy-3,7-dimethoxyphenanthrene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
110202-83-0
Role
alias
Source
HERB_v2
Preferred
No
Name
110202-83-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,7-DIMETHOXYPHENANTHREN-2-OL
Role
alias
Source
HERB_v2
Preferred
No
Name
3,7-DIMETHOXYPHENANTHREN-2-OL
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXCID40501480
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXCID40501480
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID00550696
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID00550696
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
110202-83-03,7-DIMETHOXYPHENANTHREN-2-OLDTXCID40501480DTXSID00550696
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN005740
Tcmid
10033
Pub Chem
13831038
Tcmbank
TCMBANKIN045869
Etcm Ingredient
2-Hydroxy-3,7-dimethoxyphenanthrene
Itcmdb Generated
ITX-INGREDIENT-51B0EAC11B92
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H14O3/c1-18-12-5-6-13-10(7-12)3-4-11-8-15(17)16(19-2)9-14(11)13/h3-9,17H,1-2H3
Mol Wt
254.285
Smiles
COC1=CC2=C(C=C1)C3=CC(=C(C=C3C=C2)O)OC
Mol Log P
3.715800000000002
In Ch Ikey
UCVNCEXOYIMYFV-UHFFFAOYSA-N
Mol2 Path
/TCM_database/2007_3d_all/10034.mol2
Reference
660
Num Hdonors
1
Drug Likeness
0.708
Num Hacceptors
3
Isomeric Smiles
COC1=CC2=C(C=C1)C3=CC(=C(C=C3C=C2)O)OC
Canonical Smiles
COC1=CC2=C(C=C1)C3=CC(=C(C=C3C=C2)O)OC
Herb Alias Names
3,7-DIMETHOXYPHENANTHREN-2-OL110202-83-0DTXSID00550696DTXCID40501480
Molecular Weight
254.090
Molecular Formula
C16H14O3
Molecular Formula
C16H14O3
Molecular Formula
C16H14O3
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.905
Quantitative Estimate Of Drug Likeness（Qed）
0.708