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
- 38030
- Core Entity Id
- 61237
- Source Entity Count
- 1
- Preferred Name
- 1,2-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-ol
- Name En
- Pubchem Id
- 14219281
- Smiles Canonical
- CC1C2=C(CCN1C)C3=C(N2)C=C(C=C3)O
- Molecular Formula
- C13H16N2O
- Molecular Weight
- 216.2840
- Inchikey
- AGILGFCOHSGLIT-UHFFFAOYSA-N
- Inchi
- InChI=1S/C13H16N2O/c1-8-13-11(5-6-15(8)2)10-4-3-9(16)7-12(10)14-13/h3-4,7-8,14,16H,5-6H2,1-2H3
- Isomeric Smiles
- CC1C2=C(CCN1C)C3=C(N2)C=C(C=C3)O
- Cas Id
- Ob Score
- Mol Logp
- 2.4224
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.7100
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1,2-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-ol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1,2-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-ol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1,2-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-ol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Nb-Methyltetrahydroharmol
Role
alias
Source
HERB_v2
Preferred
No
Name
Nb-Methyltetrahydroharmol
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Nb-Methyltetrahydroharmol
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN000818
Tcmid
14743
Pub Chem
14219281
Tcmbank
TCMBANKIN002497
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C13H16N2O/c1-8-13-11(5-6-15(8)2)10-4-3-9(16)7-12(10)14-13/h3-4,7-8,14,16H,5-6H2,1-2H3
Mol Wt
216.284
Smiles
CC1C2=C(CCN1C)C3=C(N2)C=C(C=C3)O
Mol Log P
2.4224
In Ch Ikey
AGILGFCOHSGLIT-UHFFFAOYSA-N
Num Hdonors
2
Drug Likeness
0.71
Num Hacceptors
2
Isomeric Smiles
CC1C2=C(CCN1C)C3=C(N2)C=C(C=C3)O
Canonical Smiles
CC1C2=C(CCN1C)C3=C(N2)C=C(C=C3)O
Herb Alias Names
Nb-Methyltetrahydroharmol
Molecular Formula
C13H16N2O
Molecular Formula
C13H16N2O
Num Rotatable Bonds
0