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
- 23393
- Core Entity Id
- 29185
- Source Entity Count
- 1
- Preferred Name
- Justicidinoside c
- Name En
- Pubchem Id
- 10650154
- Smiles Canonical
- COC1=CC2=CC3=C(C(=C2C=C1OC)C4=CC5=C(C=C4OC6C(C(C(C(O6)CO)O)O)O)OCO5)C(=O)OC3
- Molecular Formula
- C27H26O12
- Molecular Weight
- 542.4930
- Inchikey
- HNLDQOZYWMHPHS-KAPITKBASA-N
- Inchi
- InChI=1S/C27H26O12/c1-33-16-4-11-3-12-9-35-26(32)21(12)22(13(11)5-17(16)34-2)14-6-18-19(37-10-36-18)7-15(14)38-27-25(31)24(30)23(29)20(8-28)39-27/h3-7,20,23-25,27-31H,8-10H2,1-2H3/t20-,23-,24+,25-,27-/m1/s1
- Isomeric Smiles
- COC1=CC2=CC3=C(C(=C2C=C1OC)C4=CC5=C(C=C4O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)OCO5)C(=O)OC3
- Cas Id
- Ob Score
- Mol Logp
- 1.1018
- Num H Donors
- 4
- Num H Acceptors
- 12
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.3290
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Justicidinoside C
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Justicidinoside c
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Justicidinoside c
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
177912-23-1
Role
alias
Source
HERB_v2
Preferred
No
Name
177912-23-1
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
177912-23-1
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN031684
Npass
NPC255638
Tcmid
32471
Pub Chem
10650154
Tcmbank
TCMBANKIN021616
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C27H26O12/c1-33-16-4-11-3-12-9-35-26(32)21(12)22(13(11)5-17(16)34-2)14-6-18-19(37-10-36-18)7-15(14)38-27-25(31)24(30)23(29)20(8-28)39-27/h3-7,20,23-25,27-31H,8-10H2,1-2H3/t20-,23-,24+,25-,27-/m1/s1
Mol Wt
542.4930000000002
Smiles
COC1=CC2=CC3=C(C(=C2C=C1OC)C4=CC5=C(C=C4OC6C(C(C(C(O6)CO)O)O)O)OCO5)C(=O)OC3
Mol Log P
1.1018
In Ch Ikey
HNLDQOZYWMHPHS-KAPITKBASA-N
Num Hdonors
4
Drug Likeness
0.329
Num Hacceptors
12
Isomeric Smiles
COC1=CC2=CC3=C(C(=C2C=C1OC)C4=CC5=C(C=C4O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)OCO5)C(=O)OC3
Canonical Smiles
COC1=CC2=CC3=C(C(=C2C=C1OC)C4=CC5=C(C=C4OC6C(C(C(C(O6)CO)O)O)O)OCO5)C(=O)OC3
Herb Alias Names
177912-23-1
Molecular Weight
542.5 g/mol
Molecular Formula
C27H26O12
Molecular Formula
C27H26O12
Num Rotatable Bonds
6