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
- 38781
- Core Entity Id
- 67866
- Source Entity Count
- 1
- Preferred Name
- 15-veratroyldictizine
- Name En
- Pubchem Id
- 21579303
- Smiles Canonical
- CC12CCCC34C1CC(C3N(C2)C)C56C4CC(CC5)C(C6OC(=O)C7=CC(=C(C=C7)OC)OC)(CO)O
- Molecular Formula
- C30H41NO6
- Molecular Weight
- 511.6590
- Inchikey
- IFIRAFGDQZPYNA-WJLODPAJSA-N
- Inchi
- InChI=1S/C30H41NO6/c1-27-9-5-10-29-22(27)14-19(24(29)31(2)15-27)28-11-8-18(13-23(28)29)30(34,16-32)26(28)37-25(33)17-6-7-20(35-3)21(12-17)36-4/h6-7,12,18-19,22-24,26,32,34H,5,8-11,13-16H2,1-4H3/t18-,19-,22+,23+,24?,26-,27-,28-,29-,30-/m0/s1
- Isomeric Smiles
- C[C@@]12CCC[C@@]34[C@@H]1C[C@@H](C3N(C2)C)[C@]56[C@H]4C[C@H](CC5)[C@]([C@H]6OC(=O)C7=CC(=C(C=C7)OC)OC)(CO)O
- Cas Id
- Ob Score
- Mol Logp
- 3.5092
- Num H Donors
- 2
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.5850
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
15-Veratroyldictizine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
15-veratroyldictizine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
15-veratroyldictizine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
斑花乌头
Role
TCM_name
Source
TCMBank
Preferred
No
Name
BAN HUA WU TOU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Manchurian Monkshood
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
斑花乌头BAN HUA WU TOUManchurian Monkshood
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN001729
Tcmid
22377
Pub Chem
21579303
Tcmbank
TCMBANKIN049711
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C30H41NO6/c1-27-9-5-10-29-22(27)14-19(24(29)31(2)15-27)28-11-8-18(13-23(28)29)30(34,16-32)26(28)37-25(33)17-6-7-20(35-3)21(12-17)36-4/h6-7,12,18-19,22-24,26,32,34H,5,8-11,13-16H2,1-4H3/t18-,19-,22+,23+,24?,26-,27-,28-,29-,30-/m0/s1
Mol Wt
511.6590000000003
Mol Log P
3.509200000000003
In Ch Ikey
IFIRAFGDQZPYNA-WJLODPAJSA-N
Tcm Name
斑花乌头
Tcm Name2
BAN HUA WU TOU
Mol2 Path
/TCM_database/2007_3d_all/22393.mol2
Reference
5270
Num Hdonors
2
Tcm Name En
Manchurian Monkshood
Drug Likeness
0.585
Num Hacceptors
7
Isomeric Smiles
C[C@@]12CCC[C@@]34[C@@H]1C[C@@H](C3N(C2)C)[C@]56[C@H]4C[C@H](CC5)[C@]([C@H]6OC(=O)C7=CC(=C(C=C7)OC)OC)(CO)O
Canonical Smiles
CC12CCCC34C1CC(C3N(C2)C)C56C4CC(CC5)C(C6OC(=O)C7=CC(=C(C=C7)OC)OC)(CO)O
Molecular Weight
511.6 g/mol
Molecular Formula
C30H41NO6
Num Rotatable Bonds
5