Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 31998
- Core Entity Id
- 38755
- Source Entity Count
- 1
- Preferred Name
- Romucosine h
- Name En
- Pubchem Id
- 78385443
- Smiles Canonical
- COC1=C(C2=C(CC3C4=C2C(=C(C=C4CCN3C(=O)OC)OC)OC)C=C1)O
- Molecular Formula
- C21H23NO6
- Molecular Weight
- 385.4160
- Inchikey
- JWSAYTXQWHOMHU-UHFFFAOYSA-N
- Inchi
- InChI=1S/C21H23NO6/c1-25-14-6-5-11-9-13-16-12(7-8-22(13)21(24)28-4)10-15(26-2)20(27-3)18(16)17(11)19(14)23/h5-6,10,13,23H,7-9H2,1-4H3
- Isomeric Smiles
- COC1=C(C2=C(CC3C4=C2C(=C(C=C4CCN3C(=O)OC)OC)OC)C=C1)O
- Cas Id
- Ob Score
- Mol Logp
- 3.3067
- Num H Donors
- 1
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.8740
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Romucosine H
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Romucosine h
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Romucosine h
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
romucosine h
Role
preferred
Source
TCMBank
Preferred
Yes
Name
N-Methoxycarbonylnorisocorydine
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-Methoxycarbonylnorisocorydine
Role
alias
Source
HERB_v2
Preferred
No
Name
Romucosine H
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
N-Methoxycarbonylnorisocorydine
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN042403
Tcmid
1889235585
Pub Chem
78385443
Tcmbank
TCMBANKIN011416
Etcm Ingredient
Romucosine H
Itcmdb Generated
ITX-INGREDIENT-D2D1D3ACFF7D
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C21H23NO6/c1-25-14-6-5-11-9-13-16-12(7-8-22(13)21(24)28-4)10-15(26-2)20(27-3)18(16)17(11)19(14)23/h5-6,10,13,23H,7-9H2,1-4H3
Mol Wt
385.4160000000001
Smiles
COC1=C(C2=C(CC3C4=C2C(=C(C=C4CCN3C(=O)OC)OC)OC)C=C1)O
Mol Log P
3.306700000000002
In Ch Ikey
JWSAYTXQWHOMHU-UHFFFAOYSA-N
Num Hdonors
1
Drug Likeness
0.874
Num Hacceptors
6
Isomeric Smiles
COC1=C(C2=C(CC3C4=C2C(=C(C=C4CCN3C(=O)OC)OC)OC)C=C1)O
Canonical Smiles
COC1=C(C2=C(CC3C4=C2C(=C(C=C4CCN3C(=O)OC)OC)OC)C=C1)O
Herb Alias Names
N-Methoxycarbonylnorisocorydine
Molecular Weight
385.150
Molecular Weight
385.4 g/mol
Molecular Formula
C21H23NO6
Molecular Formula
C21H23NO6
Molecular Formula
C21H23NO6
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.912
Quantitative Estimate Of Drug Likeness（Qed）
0.874