Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 27867
- Core Entity Id
- 34159
- Source Entity Count
- 1
- Preferred Name
- Norannuradhapurine
- Name En
- Pubchem Id
- 9796746
- Smiles Canonical
- COC1=C(C2=C(C=C1)C3=C4C(C2)NCCC4=CC5=C3OCO5)O
- Molecular Formula
- C18H17NO4
- Molecular Weight
- 311.3370
- Inchikey
- GIRZRPOEFSRMBI-GFCCVEGCSA-N
- Inchi
- InChI=1S/C18H17NO4/c1-21-13-3-2-10-11(17(13)20)7-12-15-9(4-5-19-12)6-14-18(16(10)15)23-8-22-14/h2-3,6,12,19-20H,4-5,7-8H2,1H3/t12-/m1/s1
- Isomeric Smiles
- COC1=C(C2=C(C=C1)C3=C4[C@@H](C2)NCCC4=CC5=C3OCO5)O
- Cas Id
- Ob Score
- Mol Logp
- 2.5394
- Num H Donors
- 2
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.8470
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Norannuradhapurine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Norannuradhapurine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Norannuradhapurine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Polyalthia acuminata
Role
TCM_name2
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Polyalthia acuminata
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN037289
Tcmid
15702
Pub Chem
9796746
Tcmbank
TCMBANKIN036958
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C18H17NO4/c1-21-13-3-2-10-11(17(13)20)7-12-15-9(4-5-19-12)6-14-18(16(10)15)23-8-22-14/h2-3,6,12,19-20H,4-5,7-8H2,1H3/t12-/m1/s1
Mol Wt
311.337
Mol Log P
2.5394
In Ch Ikey
GIRZRPOEFSRMBI-GFCCVEGCSA-N
Tcm Name2
Polyalthia acuminata
Mol2 Path
/TCM_database/2007_3d_all/15711.mol2
Reference
2705, 2706
Num Hdonors
2
Drug Likeness
0.847
Num Hacceptors
5
Isomeric Smiles
COC1=C(C2=C(C=C1)C3=C4[C@@H](C2)NCCC4=CC5=C3OCO5)O
Canonical Smiles
COC1=C(C2=C(C=C1)C3=C4C(C2)NCCC4=CC5=C3OCO5)O
Molecular Formula
C18H17NO4
Num Rotatable Bonds
1