Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 39757
- Core Entity Id
- 76302
- Source Entity Count
- 1
- Preferred Name
- 1-o-methylichangensin
- Name En
- Pubchem Id
- 101018953
- Smiles Canonical
- CC1(C2CC(=O)C3(C(C2(C(O1)(C)OC)C)CCC4(C35C(O5)C(=O)OC4C6=COC=C6)C)C)C
- Molecular Formula
- C26H34O7
- Molecular Weight
- 458.5510
- Inchikey
- VJXUJFAZXQOXMJ-XLCDCNLBSA-N
- Inchi
- InChI=1S/C26H34O7/c1-21(2)16-12-17(27)24(5)15(23(16,4)25(6,29-7)33-21)8-10-22(3)18(14-9-11-30-13-14)31-20(28)19-26(22,24)32-19/h9,11,13,15-16,18-19H,8,10,12H2,1-7H3/t15-,16+,18+,19-,22+,23-,24+,25+,26-/m1/s1
- Isomeric Smiles
- C[C@@]12CC[C@@H]3[C@@]4([C@@H](CC(=O)[C@]3([C@@]15[C@H](O5)C(=O)O[C@H]2C6=COC=C6)C)C(O[C@]4(C)OC)(C)C)C
- Cas Id
- Ob Score
- Mol Logp
- 4.2044
- Num H Donors
- 0
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.4850
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1-O-Methylichangensin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1-o-methylichangensin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
1-o-methylichangensin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
苏打其柑桔
Role
TCM_name
Source
TCMBank
Preferred
No
Name
SU DA QI GAN JU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Sudach Citrus*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
苏打其柑桔SU DA QI GAN JUSudach Citrus*
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN002923
Tcmid
14516
Pub Chem
101018953
Tcmbank
TCMBANKIN045992
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C26H34O7/c1-21(2)16-12-17(27)24(5)15(23(16,4)25(6,29-7)33-21)8-10-22(3)18(14-9-11-30-13-14)31-20(28)19-26(22,24)32-19/h9,11,13,15-16,18-19H,8,10,12H2,1-7H3/t15-,16+,18+,19-,22+,23-,24+,25+,26-/m1/s1
Mol Wt
458.5510000000003
Mol Log P
4.204400000000003
In Ch Ikey
VJXUJFAZXQOXMJ-XLCDCNLBSA-N
Tcm Name
苏打其柑桔
Tcm Name2
SU DA QI GAN JU
Mol2 Path
/TCM_database/2007_3d_all/14524.mol2
Reference
3532
Num Hdonors
0
Tcm Name En
Sudach Citrus*
Drug Likeness
0.485
Num Hacceptors
7
Isomeric Smiles
C[C@@]12CC[C@@H]3[C@@]4([C@@H](CC(=O)[C@]3([C@@]15[C@H](O5)C(=O)O[C@H]2C6=COC=C6)C)C(O[C@]4(C)OC)(C)C)C
Canonical Smiles
CC1(C2CC(=O)C3(C(C2(C(O1)(C)OC)C)CCC4(C35C(O5)C(=O)OC4C6=COC=C6)C)C)C
Molecular Formula
C26H34O7
Num Rotatable Bonds
2