Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 5Links: 9
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 10934
- Core Entity Id
- 15317
- Source Entity Count
- 1
- Preferred Name
- Anolobine
- Name En
- Pubchem Id
- 164710
- Smiles Canonical
- C1CNC2CC3=C(C=CC(=C3)O)C4=C2C1=CC5=C4OCO5
- Molecular Formula
- C17H15NO3
- Molecular Weight
- 281.3110
- Inchikey
- LTSPCGWFQLHECP-CYBMUJFWSA-N
- Inchi
- InChI=1S/C17H15NO3/c19-11-1-2-12-10(5-11)6-13-15-9(3-4-18-13)7-14-17(16(12)15)21-8-20-14/h1-2,5,7,13,18-19H,3-4,6,8H2/t13-/m1/s1
- Isomeric Smiles
- C1CN[C@@H]2CC3=C(C=CC(=C3)O)C4=C2C1=CC5=C4OCO5
- Cas Id
- Ob Score
- Mol Logp
- 2.5308
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.7790
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Anolobine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Anolobine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Anolobine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
anolobine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(-)-Anolobine
Role
alias
Source
itcmdb_public
Preferred
No
Name
(-)-Anolobine
Role
alias
Source
HERB_v2
Preferred
No
Name
(R)-6,7,7a,8-Tetrahydro-5H-benzo(g)-1,3-benzodioxolo(6,5,4-de)quinolin-10-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
(R)-6,7,7a,8-Tetrahydro-5H-benzo(g)-1,3-benzodioxolo(6,5,4-de)quinolin-10-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
641-17-8
Role
alias
Source
HERB_v2
Preferred
No
Name
641-17-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
AC1Q6ZQY
Role
alias
Source
itcmdb_public
Preferred
No
Name
AC1Q6ZQY
Role
alias
Source
HERB_v2
Preferred
No
Name
Annolobine
Role
alias
Source
HERB_v2
Preferred
No
Name
Annolobine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Anolobin
Role
alias
Source
HERB_v2
Preferred
No
Name
Anolobin
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:2742
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:2742
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL257746
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL257746
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(-)-Anolobine(R)-6,7,7a,8-Tetrahydro-5H-benzo(g)-1,3-benzodioxolo(6,5,4-de)quinolin-10-ol641-17-8AC1Q6ZQYAnnolobineAnolobinCHEBI:2742CHEMBL257746
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN016252
Npass
NPC152212
Tcmid
1344
Pub Chem
164710
Tcmbank
TCMBANKIN030898
Etcm Ingredient
Anolobine
Itcmdb Generated
ITX-INGREDIENT-04B14D4FE85F
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H15NO3/c19-11-1-2-12-10(5-11)6-13-15-9(3-4-18-13)7-14-17(16(12)15)21-8-20-14/h1-2,5,7,13,18-19H,3-4,6,8H2/t13-/m1/s1
Mol Wt
281.311
Smiles
C1CNC2CC3=C(C=CC(=C3)O)C4=C2C1=CC5=C4OCO5
Mol Log P
2.530800000000001
In Ch Ikey
LTSPCGWFQLHECP-CYBMUJFWSA-N
Num Hdonors
2
Drug Likeness
0.779
Num Hacceptors
4
Isomeric Smiles
C1CN[C@@H]2CC3=C(C=CC(=C3)O)C4=C2C1=CC5=C4OCO5
Canonical Smiles
C1CNC2CC3=C(C=CC(=C3)O)C4=C2C1=CC5=C4OCO5
Herb Alias Names
AnnolobineAnolobin641-17-8CHEBI:2742CHEMBL257746AC1Q6ZQY(R)-6,7,7a,8-Tetrahydro-5H-benzo(g)-1,3-benzodioxolo(6,5,4-de)quinolin-10-ol(-)-AnolobineAnolobine, (-)-
Molecular Weight
281.110
Molecular Weight
281.3 g/mol
Molecular Formula
C17H15NO3
Molecular Formula
C17H15NO3
Molecular Formula
C17H15NO3
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.940
Quantitative Estimate Of Drug Likeness（Qed）
0.779