Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 12Links: 14
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 5262
- Core Entity Id
- 9037
- Source Entity Count
- 1
- Preferred Name
- (3r)-7-hydroxy-3-isopropenyl-tetralin-5-carbaldehyde
- Name En
- Pubchem Id
- 14681764
- Smiles Canonical
- CC(=C)C1CCC2=C(C1)C(=CC(=C2)O)C=O
- Molecular Formula
- C14H16O2
- Molecular Weight
- 216.2800
- Inchikey
- DOXGAJNACWJRHA-SNVBAGLBSA-N
- Inchi
- InChI=1S/C14H16O2/c1-9(2)10-3-4-11-5-13(16)6-12(8-15)14(11)7-10/h5-6,8,10,16H,1,3-4,7H2,2H3/t10-/m1/s1
- Isomeric Smiles
- CC(=C)[C@@H]1CCC2=C(C1)C(=CC(=C2)O)C=O
- Cas Id
- 64185-18-8
- Ob Score
- 68.0610
- Mol Logp
- 2.8857
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.6090
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(3R)-7-Hydroxy-3-Isopropenyl-Tetralin-5-Carbaldehyde
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(3R)-7-Hydroxy-3-Isopropenyl-Tetralin-5-Carbaldehyde
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(3R)-7-hydroxy-3-isopropenyl-tetralin-5-carbaldehyde
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(3R)-7-hydroxy-3-isopropenyl-tetralin-5-carbaldehyde
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(3r)-7-hydroxy-3-isopropenyl-tetralin-5-carbaldehyde
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(3r)-7-hydroxy-3-isopropenyl-tetralin-5-carbaldehyde
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(3R)-7-hydroxy-3-isopropenyl-5-tetralincarboxaldehyde
Role
alias
Source
TCMBank
Preferred
No
Name
(7R)-3-hydroxy-7-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalene-1-carbaldehyde
Role
alias
Source
TCMBank
Preferred
No
Name
(R)-5,6,7,8-Tetrahydro-3-hydroxy-7-isopropenyl-1-naphthalenecarbaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
(R)-5,6,7,8-Tetrahydro-3-hydroxy-7-isopropenyl-1-naphthalenecarbaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
64185-18-8
Role
alias
Source
HERB_v2
Preferred
No
Name
64185-18-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
DB-290189
Role
alias
Source
HERB_v2
Preferred
No
Name
DB-290189
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(3R)-7-hydroxy-3-isopropenyl-5-tetralincarboxaldehyde(7R)-3-hydroxy-7-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalene-1-carbaldehyde(R)-5,6,7,8-Tetrahydro-3-hydroxy-7-isopropenyl-1-naphthalenecarbaldehyde64185-18-8DB-290189
Cross References
Trusted external identifiers retained for this final record.
Cas
64185-18-8
Herb
HBIN009566
Npass
NPC235739
Tcmsp
MOL010513
Sym Map
SMIT11550
Pub Chem
14681764
Tcmbank
TCMBANKIN022514
Etcm Ingredient
(3R)-7-hydroxy-3-isopropenyl-tetralin-5-carbaldehyde
Itcmdb Generated
ITX-INGREDIENT-09FFC94462BD
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C14H16O2/c1-9(2)10-3-4-11-5-13(16)6-12(8-15)14(11)7-10/h5-6,8,10,16H,1,3-4,7H2,2H3/t10-/m1/s1
Mol Wt
216.28
Cas Id
64185-18-8
Mol Log P
2.885700000000001
Version
v1,v2
In Ch Ikey
DOXGAJNACWJRHA-SNVBAGLBSA-N
Ob Score
68.06168.06126268.06126238
Suppress
0
Num Hdonors
1
Drug Likeness
0.609
Num Hacceptors
2
Isomeric Smiles
CC(=C)[C@@H]1CCC2=C(C1)C(=CC(=C2)O)C=O
Molecule Weight
216.3
Canonical Smiles
CC(=C)C1CCC2=C(C1)C(=CC(=C2)O)C=O
Herb Alias Names
64185-18-8(R)-5,6,7,8-Tetrahydro-3-hydroxy-7-isopropenyl-1-naphthalenecarbaldehydeDB-290189
Molecular Weight
216.120
Molecular Weight
216.28
Molecular Formula
C14H16O2
Molecular Formula
C14H16O2
Molecular Formula
C14H16O2
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.914
Quantitative Estimate Of Drug Likeness（Qed）
0.609