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
- 21176
- Core Entity Id
- 26723
- Source Entity Count
- 1
- Preferred Name
- Hellebortin c
- Name En
- Pubchem Id
- 101143651
- Smiles Canonical
- CC12CCC3C(C1(CCC2C4=COC(=O)C=C4)O)CCC5(C3(CCC6C5O6)O)OC7C(C(C(C(O7)CO)O)O)O
- Molecular Formula
- C29H40O11
- Molecular Weight
- 564.6280
- Inchikey
- MZHZXWLYKXXRAM-ZEPIBYNXSA-N
- Inchi
- InChI=1S/C29H40O11/c1-26-8-4-17-16(27(26,35)9-5-15(26)14-2-3-20(31)37-13-14)6-11-29(24-18(38-24)7-10-28(17,29)36)40-25-23(34)22(33)21(32)19(12-30)39-25/h2-3,13,15-19,21-25,30,32-36H,4-12H2,1H3/t15?,16?,17?,18?,19-,21-,22+,23-,24?,25+,26?,27?,28?,29?/m1/s1
- Isomeric Smiles
- CC12CCC3C(C1(CCC2C4=COC(=O)C=C4)O)CCC5(C3(CCC6C5O6)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -0.0778
- Num H Donors
- 6
- Num H Acceptors
- 11
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.2130
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Hellebortin C
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Hellebortin c
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Hellebortin c
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
扭曲嚏根草
Role
TCM_name
Source
TCMBank
Preferred
No
Name
NIU QU TI GEN CAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Tortuous Hellebore*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
扭曲嚏根草NIU QU TI GEN CAOTortuous Hellebore*
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN028977
Tcmid
9327
Pub Chem
101143651
Tcmbank
TCMBANKIN040511
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C29H40O11/c1-26-8-4-17-16(27(26,35)9-5-15(26)14-2-3-20(31)37-13-14)6-11-29(24-18(38-24)7-10-28(17,29)36)40-25-23(34)22(33)21(32)19(12-30)39-25/h2-3,13,15-19,21-25,30,32-36H,4-12H2,1H3/t15?,16?,17?,18?,19-,21-,22+,23-,24?,25+,26?,27?,28?,29?/m1/s1
Mol Wt
564.6280000000006
Mol Log P
-0.07779999999999904
In Ch Ikey
MZHZXWLYKXXRAM-ZEPIBYNXSA-N
Tcm Name
扭曲嚏根草
Tcm Name2
NIU QU TI GEN CAO
Mol2 Path
/TCM_database/2007_3d_all/09328.mol2
Reference
5142
Num Hdonors
6
Tcm Name En
Tortuous Hellebore*
Drug Likeness
0.213
Num Hacceptors
11
Isomeric Smiles
CC12CCC3C(C1(CCC2C4=COC(=O)C=C4)O)CCC5(C3(CCC6C5O6)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O
Canonical Smiles
CC12CCC3C(C1(CCC2C4=COC(=O)C=C4)O)CCC5(C3(CCC6C5O6)O)OC7C(C(C(C(O7)CO)O)O)O
Molecular Weight
564.6 g/mol
Molecular Formula
C29H40O11
Num Rotatable Bonds
4