Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 12Links: 15
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 21029
- Core Entity Id
- 26559
- Source Entity Count
- 1
- Preferred Name
- Harmalol
- Name En
- Pubchem Id
- 3565
- Smiles Canonical
- CC1=NCCC2=C1NC3=C2C=CC(=C3)O
- Molecular Formula
- C12H12N2O
- Molecular Weight
- 200.2410
- Inchikey
- RHVPEFQDYMMNSY-UHFFFAOYSA-N
- Inchi
- InChI=1S/C12H12N2O/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12/h2-3,6,14-15H,4-5H2,1H3
- Isomeric Smiles
- CC1=NCCC2=C1NC3=C2C=CC(=C3)O
- Cas Id
- 525-57-5
- Ob Score
- Mol Logp
- 2.2386
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.6730
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Harmalol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Harmalol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Harmalol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
harmalol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1-Methyl-4,9-dihydro-3H-beta-carbolin-7-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Methyl-4,9-dihydro-3H-beta-carbolin-7-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-7-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-7-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
4,9-Dihydro-1-methyl-3H-pyrido(3,4-b)indol-7-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
4,9-Dihydro-1-methyl-3H-pyrido(3,4-b)indol-7-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
525-57-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
525-57-5
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:27943
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:27943
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 208-375-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 208-375-4
Role
alias
Source
HERB_v2
Preferred
No
Name
Harmidol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Harmidol
Role
alias
Source
HERB_v2
Preferred
No
Name
Harmolol
Role
alias
Source
HERB_v2
Preferred
No
Name
Harmolol
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-2NQN80556Q
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-2NQN80556Q
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1-Methyl-4,9-dihydro-3H-beta-carbolin-7-ol1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-7-ol4,9-Dihydro-1-methyl-3H-pyrido(3,4-b)indol-7-ol525-57-5CHEBI:27943EINECS 208-375-4HarmidolHarmololUNII-2NQN80556Q
Cross References
Trusted external identifiers retained for this final record.
Cas
525-57-5
Herb
HBIN028800
Tcmid
9232
Tcm Id
13035156423861
Pub Chem
3565
Tcmbank
TCMBANKIN035569
Etcm Ingredient
Harmalol
Itcmdb Generated
ITX-INGREDIENT-8D1799A87CD9
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C12H12N2O/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12/h2-3,6,14-15H,4-5H2,1H3
Mol Wt
200.241
Cas Id
525-57-5
Smiles
CC1=NCCC2=C1NC3=C2C=CC(=C3)O
Mol Log P
2.2386
In Ch Ikey
RHVPEFQDYMMNSY-UHFFFAOYSA-N
Num Hdonors
2
Drug Likeness
0.673
Num Hacceptors
2
Isomeric Smiles
CC1=NCCC2=C1NC3=C2C=CC(=C3)O
Canonical Smiles
CC1=NCCC2=C1NC3=C2C=CC(=C3)O
Herb Alias Names
525-57-5HarmidolHarmolol1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-7-ol1-Methyl-4,9-dihydro-3H-beta-carbolin-7-olEINECS 208-375-4UNII-2NQN80556QCHEBI:279434,9-Dihydro-1-methyl-3H-pyrido(3,4-b)indol-7-ol
Molecular Weight
200.090
Molecular Weight
200.24
Molecular Formula
C12H12N2O
Molecular Formula
C12H12N2O
Molecular Formula
C12H12N2O
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.910
Quantitative Estimate Of Drug Likeness（Qed）
0.673