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
- 6372
- Core Entity Id
- 10261
- Source Entity Count
- 1
- Preferred Name
- (4s)-4,8-dihydroxy-5-methoxy-alpha-tetralone
- Name En
- Pubchem Id
- 101695570
- Smiles Canonical
- COC1=C2C(CCC(=O)C2=C(C=C1)O)O
- Molecular Formula
- C11H12O4
- Molecular Weight
- 208.2130
- Inchikey
- DEJCMSKVDRQNTM-QMMMGPOBSA-N
- Inchi
- InChI=1S/C11H12O4/c1-15-9-5-4-7(13)10-6(12)2-3-8(14)11(9)10/h4-5,8,13-14H,2-3H2,1H3/t8-/m0/s1
- Isomeric Smiles
- COC1=C2[C@H](CCC(=O)C2=C(C=C1)O)O
- Cas Id
- Ob Score
- Mol Logp
- 1.4107
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.7320
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(4S)-4,8-Dihydroxy-5-methoxy--alpha-tetralone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(4s)-4,8-dihydroxy-5-methoxy-alpha-tetralone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(4s)-4,8-dihydroxy-5-methoxy-alpha-tetralone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
(4S)-4,8-Dihydroxy-5-methoxy--alpha-tetralone
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN010882
Npass
NPC248079
Tcmid
6004
Pub Chem
101695570
Etcm Ingredient
(4S)-4,8-Dihydroxy-5-methoxy--alpha-tetralone
Itcmdb Generated
ITX-INGREDIENT-BC00C50F975C
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C11H12O4/c1-15-9-5-4-7(13)10-6(12)2-3-8(14)11(9)10/h4-5,8,13-14H,2-3H2,1H3/t8-/m0/s1
Mol Wt
208.213
Mol Log P
1.4107
In Ch Ikey
DEJCMSKVDRQNTM-QMMMGPOBSA-N
Num Hdonors
2
Drug Likeness
0.732
Num Hacceptors
4
Isomeric Smiles
COC1=C2[C@H](CCC(=O)C2=C(C=C1)O)O
Canonical Smiles
COC1=C2C(CCC(=O)C2=C(C=C1)O)O
Molecular Weight
208.070
Molecular Formula
C11H12O4
Molecular Formula
C11H12O4
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.069
Quantitative Estimate Of Drug Likeness（Qed）
0.690