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
- 31995
- Core Entity Id
- 38752
- Source Entity Count
- 1
- Preferred Name
- Romucosine d
- Name En
- Pubchem Id
- 85102142
- Smiles Canonical
- COC1=CC2=C(CC3C4=C2C(=C(C=C4CCN3C(=O)OC)OC)OC)C=C1
- Molecular Formula
- C21H23NO5
- Molecular Weight
- 369.4170
- Inchikey
- GIUSYZFFMYWEAY-UHFFFAOYSA-N
- Inchi
- InChI=1S/C21H23NO5/c1-24-14-6-5-12-9-16-18-13(7-8-22(16)21(23)27-4)10-17(25-2)20(26-3)19(18)15(12)11-14/h5-6,10-11,16H,7-9H2,1-4H3
- Isomeric Smiles
- COC1=CC2=C(CC3C4=C2C(=C(C=C4CCN3C(=O)OC)OC)OC)C=C1
- Cas Id
- Ob Score
- Mol Logp
- 3.6011
- Num H Donors
- 0
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.8270
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Romucosine d
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Romucosine d
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
romucosine d
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(+)-Romucosine D
Role
alias
Source
HERB_v2
Preferred
No
Name
(+)-Romucosine D
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(+)-Romucosine D
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN042400
Tcmid
18889
Pub Chem
85102142
Tcmbank
TCMBANKIN047041
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C21H23NO5/c1-24-14-6-5-12-9-16-18-13(7-8-22(16)21(23)27-4)10-17(25-2)20(26-3)19(18)15(12)11-14/h5-6,10-11,16H,7-9H2,1-4H3
Mol Wt
369.4170000000001
Smiles
COC1=CC2=C(CC3C4=C2C(=C(C=C4CCN3C(=O)OC)OC)OC)C=C1
Mol Log P
3.601100000000002
In Ch Ikey
GIUSYZFFMYWEAY-UHFFFAOYSA-N
Mol2 Path
/TCM_database/2007_3d_all/18904.mol2
Reference
1521, 5143
Num Hdonors
0
Drug Likeness
0.827
Num Hacceptors
5
Isomeric Smiles
COC1=CC2=C(CC3C4=C2C(=C(C=C4CCN3C(=O)OC)OC)OC)C=C1
Canonical Smiles
COC1=CC2=C(CC3C4=C2C(=C(C=C4CCN3C(=O)OC)OC)OC)C=C1
Herb Alias Names
(+)-Romucosine D
Molecular Weight
369.4 g/mol
Molecular Formula
C21H23NO5
Molecular Formula
C21H23NO5
Num Rotatable Bonds
3