Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 6152
- Core Entity Id
- 10021
- Source Entity Count
- 1
- Preferred Name
- 4-methoxy-9,10-dihydrophenanthrene-2,3,6,7-tetrol
- Name En
- Pubchem Id
- 5319427
- Smiles Canonical
- COC1=C2C(=CC(=C1O)O)CCC3=CC(=C(C=C32)O)O
- Molecular Formula
- C15H14O5
- Molecular Weight
- 274.2720
- Inchikey
- MEBHAUZZIKALTB-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H14O5/c1-20-15-13-8(5-12(18)14(15)19)3-2-7-4-10(16)11(17)6-9(7)13/h4-6,16-19H,2-3H2,1H3
- Isomeric Smiles
- COC1=C2C(=CC(=C1O)O)CCC3=CC(=C(C=C32)O)O
- Cas Id
- Ob Score
- Mol Logp
- 2.2832
- Num H Donors
- 4
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5990
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4-methoxy-9,10-dihydrophenanthrene-2,3,6,7-tetrol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
4-methoxy-9,10-dihydrophenanthrene-2,3,6,7-tetrol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
4-methoxy-9,10-dihydrophenanthrene-2,3,6,7-tetrol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
4-methoxy-9,10-dihydrophenanthrene-2,3,6,7-tetrol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN010625
Tcmid
13904
Pub Chem
5319427
Tcmbank
TCMBANKIN037479
Etcm Ingredient
4-methoxy-9,10-dihydrophenanthrene-2,3,6,7-tetrol
Itcmdb Generated
ITX-INGREDIENT-D29023F5868F
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H14O5/c1-20-15-13-8(5-12(18)14(15)19)3-2-7-4-10(16)11(17)6-9(7)13/h4-6,16-19H,2-3H2,1H3
Mol Wt
274.2719999999999
Smiles
COC1=C2C(=CC(=C1O)O)CCC3=CC(=C(C=C32)O)O
Mol Log P
2.283200000000002
In Ch Ikey
MEBHAUZZIKALTB-UHFFFAOYSA-N
Mol2 Path
/TCM_database/2007_3d_all/13911.mol2
Reference
1870
Num Hdonors
4
Drug Likeness
0.599
Num Hacceptors
5
Isomeric Smiles
COC1=C2C(=CC(=C1O)O)CCC3=CC(=C(C=C32)O)O
Canonical Smiles
COC1=C2C(=CC(=C1O)O)CCC3=CC(=C(C=C32)O)O
Molecular Weight
274.080
Molecular Formula
C15H14O5
Molecular Formula
C15H14O5
Molecular Formula
C15H14O5
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.617
Quantitative Estimate Of Drug Likeness（Qed）
0.599