Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 3Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 4513
- Core Entity Id
- 8206
- Source Entity Count
- 1
- Preferred Name
- 3-hydroxycarbofuran
- Name En
- Pubchem Id
- 27975
- Smiles Canonical
- CC1(C(C2=C(O1)C(=CC=C2)OC(=O)NC)O)C
- Molecular Formula
- C12H15NO4
- Molecular Weight
- 237.2550
- Inchikey
- RHSUJRQZTQNSLL-UHFFFAOYSA-N
- Inchi
- InChI=1S/C12H15NO4/c1-12(2)10(14)7-5-4-6-8(9(7)17-12)16-11(15)13-3/h4-6,10,14H,1-3H3,(H,13,15)
- Isomeric Smiles
- CC1(C(C2=C(O1)C(=CC=C2)OC(=O)NC)O)C
- Cas Id
- Ob Score
- Mol Logp
- 1.6092
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.7780
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3-Hydroxycarbofuran
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3-hydroxycarbofuran
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3-hydroxycarbofuran
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate
Role
alias
Source
HERB_v2
Preferred
No
Name
(3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate
Role
alias
Source
itcmdb_public
Preferred
No
Name
16655-82-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
16655-82-6
Role
alias
Source
HERB_v2
Preferred
No
Name
3,7-Benzofurandiol, 2,3-dihydro-2,2-dimethyl-, 7-(methylcarbamate)
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,7-Benzofurandiol, 2,3-dihydro-2,2-dimethyl-, 7-(methylcarbamate)
Role
alias
Source
HERB_v2
Preferred
No
Name
3-Hydroxy Carbofuran
Role
alias
Source
HERB_v2
Preferred
No
Name
3-Hydroxy-carbofuran
Role
alias
Source
itcmdb_public
Preferred
No
Name
BRN 1383873
Role
alias
Source
HERB_v2
Preferred
No
Name
BRN 1383873
Role
alias
Source
itcmdb_public
Preferred
No
Name
Carbofuran 3-oh
Role
alias
Source
HERB_v2
Preferred
No
Name
Carbofuran 3-oh
Role
alias
Source
itcmdb_public
Preferred
No
Name
Carbofuran-3-hydroxy
Role
alias
Source
HERB_v2
Preferred
No
Name
Carbofuran-3-hydroxy
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate16655-82-63,7-Benzofurandiol, 2,3-dihydro-2,2-dimethyl-, 7-(methylcarbamate)3-Hydroxy Carbofuran3-Hydroxy-carbofuranBRN 1383873Carbofuran 3-ohCarbofuran-3-hydroxy
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN008704
Npass
NPC264956
Tcmid
38221
Pub Chem
27975
Tcmbank
TCMBANKIN034510
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C12H15NO4/c1-12(2)10(14)7-5-4-6-8(9(7)17-12)16-11(15)13-3/h4-6,10,14H,1-3H3,(H,13,15)
Mol Wt
237.255
Smiles
CC1(C(C2=C(O1)C(=CC=C2)OC(=O)NC)O)C
Mol Log P
1.6092
In Ch Ikey
RHSUJRQZTQNSLL-UHFFFAOYSA-N
Num Hdonors
2
Drug Likeness
0.778
Num Hacceptors
4
Isomeric Smiles
CC1(C(C2=C(O1)C(=CC=C2)OC(=O)NC)O)C
Canonical Smiles
CC1(C(C2=C(O1)C(=CC=C2)OC(=O)NC)O)C
Herb Alias Names
16655-82-63-Hydroxy CarbofuranCarbofuran-3-hydroxy3-Hydroxy-carbofuran(3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamateCarbofuran 3-ohBRN 1383873Carbofuran, 3-hydroxy3,7-Benzofurandiol, 2,3-dihydro-2,2-dimethyl-, 7-(methylcarbamate)
Molecular Weight
237.25 g/mol
Molecular Formula
C12H15NO4
Molecular Formula
C12H15NO4
Num Rotatable Bonds
1