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
- 12958
- Core Entity Id
- 17572
- Source Entity Count
- 1
- Preferred Name
- Brachystamide d
- Name En
- Pubchem Id
- 6324843
- Smiles Canonical
- CC(C)CNC(=O)C=CC=CCCCCCCCCCC=CC1=CC2=C(C=C1)OCO2
- Molecular Formula
- C27H39NO3
- Molecular Weight
- 425.6130
- Inchikey
- KXZKYCRWMZGOMF-NEDXIOEJSA-N
- Inchi
- InChI=1S/C27H39NO3/c1-23(2)21-28-27(29)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-24-18-19-25-26(20-24)31-22-30-25/h11,13-20,23H,3-10,12,21-22H2,1-2H3,(H,28,29)/b13-11?,16-14+,17-15+
- Isomeric Smiles
- CC(C)CNC(=O)/C=C/C=CCCCCCCCCC/C=C/C1=CC2=C(C=C1)OCO2
- Cas Id
- Ob Score
- Mol Logp
- 6.8240
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 15
- Drug Likeness
- 0.1900
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Brachystamide D
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Brachystamide d
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Brachystamide d
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
短穗胡椒
Role
TCM_name
Source
TCMBank
Preferred
No
Name
DUAN SUI HU JIAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Shortspike Pepper*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
短穗胡椒DUAN SUI HU JIAOShortspike Pepper*
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN018789
Npass
NPC253344
Tcmid
2576
Pub Chem
6324843
Tcmbank
TCMBANKIN048872
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C27H39NO3/c1-23(2)21-28-27(29)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-24-18-19-25-26(20-24)31-22-30-25/h11,13-20,23H,3-10,12,21-22H2,1-2H3,(H,28,29)/b13-11?,16-14+,17-15+
Mol Wt
425.6130000000002
Mol Log P
6.824000000000008
In Ch Ikey
KXZKYCRWMZGOMF-NEDXIOEJSA-N
Tcm Name
短穗胡椒
Tcm Name2
DUAN SUI HU JIAO
Mol2 Path
/TCM_database/2007_3d_all/02576.mol2
Reference
2013
Num Hdonors
1
Tcm Name En
Shortspike Pepper*
Drug Likeness
0.19
Num Hacceptors
3
Isomeric Smiles
CC(C)CNC(=O)/C=C/C=CCCCCCCCCC/C=C/C1=CC2=C(C=C1)OCO2
Canonical Smiles
CC(C)CNC(=O)C=CC=CCCCCCCCCCC=CC1=CC2=C(C=C1)OCO2
Molecular Formula
C27H39NO3
Num Rotatable Bonds
15