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
- 15018
- Core Entity Id
- 19858
- Source Entity Count
- 1
- Preferred Name
- Coleon t
- Name En
- Pubchem Id
- 101603223
- Smiles Canonical
- CC(C)C1=C(C2=C(C(=C1O)O)C3(CCC(C(C3C(=O)C2=O)(C)C)O)C)O
- Molecular Formula
- C20H26O6
- Molecular Weight
- 362.4220
- Inchikey
- KYZIIBUTEUCONI-VTXLXBFVSA-N
- Inchi
- InChI=1S/C20H26O6/c1-8(2)10-13(22)11-12(16(25)14(10)23)20(5)7-6-9(21)19(3,4)18(20)17(26)15(11)24/h8-9,18,21-23,25H,6-7H2,1-5H3/t9-,18-,20+/m0/s1
- Isomeric Smiles
- CC(C)C1=C(C2=C(C(=C1O)O)[C@]3(CC[C@@H](C([C@@H]3C(=O)C2=O)(C)C)O)C)O
- Cas Id
- Ob Score
- Mol Logp
- 2.7470
- Num H Donors
- 4
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.3470
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Coleon T
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Coleon t
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Coleon t
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
毛喉鞘蕊花
Role
TCM_name
Source
TCMBank
Preferred
No
Name
MAO HOU QIAO RUI HUA
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Forskahl Coleus
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
毛喉鞘蕊花MAO HOU QIAO RUI HUAForskahl Coleus
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN021269
Tcmid
3918
Pub Chem
101603223
Tcmbank
TCMBANKIN039952
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H26O6/c1-8(2)10-13(22)11-12(16(25)14(10)23)20(5)7-6-9(21)19(3,4)18(20)17(26)15(11)24/h8-9,18,21-23,25H,6-7H2,1-5H3/t9-,18-,20+/m0/s1
Mol Wt
362.4220000000001
Mol Log P
2.747000000000001
In Ch Ikey
KYZIIBUTEUCONI-VTXLXBFVSA-N
Tcm Name
毛喉鞘蕊花
Tcm Name2
MAO HOU QIAO RUI HUA
Mol2 Path
/TCM_database/2007_3d_all/03918.mol2
Reference
2196
Num Hdonors
4
Tcm Name En
Forskahl Coleus
Drug Likeness
0.347
Num Hacceptors
6
Isomeric Smiles
CC(C)C1=C(C2=C(C(=C1O)O)[C@]3(CC[C@@H](C([C@@H]3C(=O)C2=O)(C)C)O)C)O
Canonical Smiles
CC(C)C1=C(C2=C(C(=C1O)O)C3(CCC(C(C3C(=O)C2=O)(C)C)O)C)O
Molecular Formula
C20H26O6
Num Rotatable Bonds
1