Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 9Ingredient: 1Target: 11Links: 20
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 41810
- Core Entity Id
- 84821
- Source Entity Count
- 1
- Preferred Name
- Cubebinolide
- Name En
- Pubchem Id
- 442879
- Smiles Canonical
- C1C(C(C(=O)O1)CC2=CC3=C(C=C2)OCO3)CC4=CC5=C(C=C4)OCO5
- Molecular Formula
- C20H18O6
- Molecular Weight
- 354.1100
- Inchikey
- DDWGQGZPYDSYEL-LSDHHAIUSA-N
- Inchi
- InChI=1S/C20H18O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,7-8,14-15H,5-6,9-11H2/t14-,15+/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.7000
- Num H Donors
- 0
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 4
- Drug Likeness
- Polar Surface Area
- 63.2000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cubebinolide
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Cubebinolide
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Cubebinolide
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Cubebinolide
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
台湾杉
Role
TCM_name
Source
TCMBank
Preferred
No
Name
BI CHENG QIE
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
TAI WAN SHAN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Cryptomeria-like Taiwania
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Cubeba Piper
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
台湾杉BI CHENG QIETAI WAN SHANCryptomeria-like TaiwaniaCubeba Piper
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT23174
Tcmbank
TCMBANKIN005808TCMBANKIN046896
Etcm Ingredient
Cubebinolide
Itcmdb Generated
ITX-INGREDIENT-3F16185AD783ITX-INGREDIENT-61534B160890ITX-INGREDIENT-8C54C8F8873BITX-INGREDIENT-9F37F2B069FB
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v2
Suppress
0
Tcm Name
台湾杉
Tcm Name2
BI CHENG QIETAI WAN SHAN
Mol2 Path
/TCM_database/2007_3d_all/04310.mol2
Reference
66, 658, 4797, 5088
Tcm Name En
Cryptomeria-like TaiwaniaCubeba Piper
Molecular Weight
354.110
Molecular Formula
C20H18O6
Fda Maximum Daily Dose (Fdamdd)
0.464
Quantitative Estimate Of Drug Likeness（Qed）
0.787