Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 7Ingredient: 1Links: 7
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 25250
- Core Entity Id
- 31258
- Source Entity Count
- 1
- Preferred Name
- Lycorenine
- Name En
- Pubchem Id
- 160472
- Smiles Canonical
- CN1CCC2=CCC3C(C21)C4=CC(=C(C=C4C(O3)O)OC)OC
- Molecular Formula
- C18H23NO4
- Molecular Weight
- 317.3850
- Inchikey
- VHYYSQODIQWPDO-PILAGYSTSA-N
- Inchi
- InChI=1S/C18H23NO4/c1-19-7-6-10-4-5-13-16(17(10)19)11-8-14(21-2)15(22-3)9-12(11)18(20)23-13/h4,8-9,13,16-18,20H,5-7H2,1-3H3/t13-,16-,17-,18+/m1/s1
- Isomeric Smiles
- CN1CCC2=CC[C@@H]3[C@H]([C@@H]21)C4=CC(=C(C=C4[C@H](O3)O)OC)OC
- Cas Id
- Ob Score
- Mol Logp
- 2.2113
- Num H Donors
- 1
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.8480
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Lycorenine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Lycorenine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Lycorenine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
lycorenine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(5aR,7S,11bS,11cS)-9,10-dimethoxy-1-methyl-3,5,5a,7,11b,11c-hexahydro-2H-isochromeno[3,4-g]indol-7-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
(5aR,7S,11bS,11cS)-9,10-dimethoxy-1-methyl-3,5,5a,7,11b,11c-hexahydro-2H-isochromeno[3,4-g]indol-7-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(7alpha)-9,10-Dimethoxy-1-methyllycorenan-7-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
(7alpha)-9,10-Dimethoxy-1-methyllycorenan-7-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
477-19-0
Role
alias
Source
HERB_v2
Preferred
No
Name
477-19-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:6599
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:6599
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL4208558
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL4208558
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID20963901
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID20963901
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-N6050
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-N6050
Role
alias
Source
HERB_v2
Preferred
No
Name
Lycorenin
Role
alias
Source
HERB_v2
Preferred
No
Name
Lycorenin
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD09954183
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD09954183
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(5aR,7S,11bS,11cS)-9,10-dimethoxy-1-methyl-3,5,5a,7,11b,11c-hexahydro-2H-isochromeno[3,4-g]indol-7-ol(7alpha)-9,10-Dimethoxy-1-methyllycorenan-7-ol477-19-0CHEBI:6599CHEMBL4208558DTXSID20963901HY-N6050LycoreninMFCD09954183
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN034003
Tcmid
13230
Tcm Id
168572034223272232732636
Pub Chem
160472
Tcmbank
TCMBANKIN013638
Etcm Ingredient
Lycorenine
Itcmdb Generated
ITX-INGREDIENT-4BA9A8D2B6E7
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C18H23NO4/c1-19-7-6-10-4-5-13-16(17(10)19)11-8-14(21-2)15(22-3)9-12(11)18(20)23-13/h4,8-9,13,16-18,20H,5-7H2,1-3H3/t13-,16-,17-,18+/m1/s1
Mol Wt
317.385
Smiles
CN1CCC2=CCC3C(C21)C4=CC(=C(C=C4C(O3)O)OC)OC
Mol Log P
2.2113
In Ch Ikey
VHYYSQODIQWPDO-PILAGYSTSA-N
Num Hdonors
1
Drug Likeness
0.848
Num Hacceptors
5
Isomeric Smiles
CN1CCC2=CC[C@@H]3[C@H]([C@@H]21)C4=CC(=C(C=C4[C@H](O3)O)OC)OC
Canonical Smiles
CN1CCC2=CCC3C(C21)C4=CC(=C(C=C4C(O3)O)OC)OC
Herb Alias Names
477-19-0Lycorenin(5aR,7S,11bS,11cS)-9,10-dimethoxy-1-methyl-3,5,5a,7,11b,11c-hexahydro-2H-isochromeno[3,4-g]indol-7-ol(7alpha)-9,10-Dimethoxy-1-methyllycorenan-7-olCHEBI:6599CHEMBL4208558DTXSID20963901HY-N6050MFCD09954183
Molecular Weight
317.160
Molecular Weight
317.4 g/mol
Molecular Formula
C18H23NO4
Molecular Formula
C18H23NO4
Molecular Formula
C18H23NO4
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.921
Quantitative Estimate Of Drug Likeness（Qed）
0.848