Relationship Network
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 31994
- Core Entity Id
- 38751
- Source Entity Count
- 1
- Preferred Name
- Romucosine c
- Name En
- Pubchem Id
- 10473390
- Smiles Canonical
- COC1=C(C2=C3C(CC4=C2C=C(C=C4)O)N(CCC3=C1)C(=O)OC)OC
- Molecular Formula
- C20H21NO5
- Molecular Weight
- 355.3900
- Inchikey
- ILKYEDYPZACASH-HNNXBMFYSA-N
- Inchi
- InChI=1S/C20H21NO5/c1-24-16-9-12-6-7-21(20(23)26-3)15-8-11-4-5-13(22)10-14(11)18(17(12)15)19(16)25-2/h4-5,9-10,15,22H,6-8H2,1-3H3/t15-/m0/s1
- Isomeric Smiles
- COC1=C(C2=C3[C@H](CC4=C2C=C(C=C4)O)N(CCC3=C1)C(=O)OC)OC
- Cas Id
- Ob Score
- Mol Logp
- 3.2981
- Num H Donors
- 1
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.8950
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Romucosine C
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Romucosine c
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Romucosine c
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
年至罗琳
Role
TCM_name
Source
TCMBank
Preferred
No
Name
NIAN ZHI LUO LIN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Mucosa Rollinia*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
356048-25-4
Role
alias
Source
HERB_v2
Preferred
No
Name
356048-25-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:174770
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:174770
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID401116040
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID401116040
Role
alias
Source
itcmdb_public
Preferred
No
Name
Methyl (6aS)-4,5,6a,7-tetrahydro-10-hydroxy-1,2-dimethoxy-6H-dibenzo[de,g]quinoline-6-carboxylate
Role
alias
Source
HERB_v2
Preferred
No
Name
Methyl (6aS)-4,5,6a,7-tetrahydro-10-hydroxy-1,2-dimethoxy-6H-dibenzo[de,g]quinoline-6-carboxylate
Role
alias
Source
itcmdb_public
Preferred
No
Name
methyl (6aS)-10-hydroxy-1,2-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carboxylate
Role
alias
Source
HERB_v2
Preferred
No
Name
methyl (6aS)-10-hydroxy-1,2-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carboxylate
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
年至罗琳NIAN ZHI LUO LINMucosa Rollinia*356048-25-4CHEBI:174770DTXSID401116040Methyl (6aS)-4,5,6a,7-tetrahydro-10-hydroxy-1,2-dimethoxy-6H-dibenzo[de,g]quinoline-6-carboxylatemethyl (6aS)-10-hydroxy-1,2-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carboxylate
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN042399
Tcmid
18888
Pub Chem
1047339085152868
Tcmbank
TCMBANKIN043224
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H21NO5/c1-24-16-9-12-6-7-21(20(23)26-3)15-8-11-4-5-13(22)10-14(11)18(17(12)15)19(16)25-2/h4-5,9-10,15,22H,6-8H2,1-3H3/t15-/m0/s1
Mol Wt
355.3900000000001
Mol Log P
3.298100000000002
In Ch Ikey
ILKYEDYPZACASH-HNNXBMFYSA-N
Tcm Name
年至罗琳
Tcm Name2
NIAN ZHI LUO LIN
Mol2 Path
/TCM_database/2007_3d_all/18903.mol2
Reference
1521, 5143
Num Hdonors
1
Tcm Name En
Mucosa Rollinia*
Drug Likeness
0.895
Num Hacceptors
5
Isomeric Smiles
COC1=C(C2=C3[C@H](CC4=C2C=C(C=C4)O)N(CCC3=C1)C(=O)OC)OC
Canonical Smiles
COC1=C(C2=C3C(CC4=C2C=C(C=C4)O)N(CCC3=C1)C(=O)OC)OC
Herb Alias Names
CHEBI:174770DTXSID401116040356048-25-4methyl (6aS)-10-hydroxy-1,2-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carboxylateMethyl (6aS)-4,5,6a,7-tetrahydro-10-hydroxy-1,2-dimethoxy-6H-dibenzo[de,g]quinoline-6-carboxylate
Molecular Weight
355.4 g/mol
Molecular Formula
C20H21NO5
Num Rotatable Bonds
2