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
- 19877
- Core Entity Id
- 25275
- Source Entity Count
- 1
- Preferred Name
- Garciosaphenone a
- Name En
- Pubchem Id
- 6479442
- Smiles Canonical
- CC(=CCCC(=CCC1=C(C(=C(C=C1O)O)CC=C(C)CCC=C(C)C)C(=O)C2=C(C=C(C=C2O)O)O)C)C
- Molecular Formula
- C33H42O6
- Molecular Weight
- 534.6930
- Inchikey
- MGVGIZSDTSABCT-MSKUYSOUSA-N
- Inchi
- InChI=1S/C33H42O6/c1-20(2)9-7-11-22(5)13-15-25-27(35)19-28(36)26(16-14-23(6)12-8-10-21(3)4)31(25)33(39)32-29(37)17-24(34)18-30(32)38/h9-10,13-14,17-19,34-38H,7-8,11-12,15-16H2,1-6H3/b22-13+,23-14+
- Isomeric Smiles
- CC(=CCC/C(=C/CC1=C(C(=C(C=C1O)O)C/C=C(\C)/CCC=C(C)C)C(=O)C2=C(C=C(C=C2O)O)O)/C)C
- Cas Id
- Ob Score
- Mol Logp
- 7.9160
- Num H Donors
- 5
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 12
- Drug Likeness
- 0.1390
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Garciosaphenone A
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Garciosaphenone a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Garciosaphenone a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
美丽藤黄
Role
TCM_name
Source
TCMBank
Preferred
No
Name
MEI LI TENG HUANG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Beautiful Garcinia*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
[2,6-bis[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5-dihydroxy-phenyl]-(2,4,6-trihydroxyphenyl)methanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
[2,6-bis[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5-dihydroxy-phenyl]-(2,4,6-trihydroxyphenyl)methanone
Role
alias
Source
HERB_v2
Preferred
No
Name
{2,6-Bis[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-3,5-dihydroxyphenyl}(2,4,6-trihydroxyphenyl)methanone
Role
alias
Source
HERB_v2
Preferred
No
Name
{2,6-Bis[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-3,5-dihydroxyphenyl}(2,4,6-trihydroxyphenyl)methanone
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
美丽藤黄MEI LI TENG HUANGBeautiful Garcinia*[2,6-bis[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5-dihydroxy-phenyl]-(2,4,6-trihydroxyphenyl)methanone{2,6-Bis[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-3,5-dihydroxyphenyl}(2,4,6-trihydroxyphenyl)methanone
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN027354
Npass
NPC202080
Tcmid
8222
Pub Chem
6479442
Tcmbank
TCMBANKIN040400
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C33H42O6/c1-20(2)9-7-11-22(5)13-15-25-27(35)19-28(36)26(16-14-23(6)12-8-10-21(3)4)31(25)33(39)32-29(37)17-24(34)18-30(32)38/h9-10,13-14,17-19,34-38H,7-8,11-12,15-16H2,1-6H3/b22-13+,23-14+
Mol Wt
534.6930000000003
Mol Log P
7.91600000000001
In Ch Ikey
MGVGIZSDTSABCT-MSKUYSOUSA-N
Tcm Name
美丽藤黄
Tcm Name2
MEI LI TENG HUANG
Mol2 Path
/TCM_database/2007_3d_all/08223.mol2
Reference
5491
Num Hdonors
5
Tcm Name En
Beautiful Garcinia*
Drug Likeness
0.139
Num Hacceptors
6
Isomeric Smiles
CC(=CCC/C(=C/CC1=C(C(=C(C=C1O)O)C/C=C(\C)/CCC=C(C)C)C(=O)C2=C(C=C(C=C2O)O)O)/C)C
Canonical Smiles
CC(=CCCC(=CCC1=C(C(=C(C=C1O)O)CC=C(C)CCC=C(C)C)C(=O)C2=C(C=C(C=C2O)O)O)C)C
Herb Alias Names
[2,6-bis[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5-dihydroxy-phenyl]-(2,4,6-trihydroxyphenyl)methanone{2,6-Bis[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-3,5-dihydroxyphenyl}(2,4,6-trihydroxyphenyl)methanone
Molecular Weight
534.7 g/mol
Molecular Formula
C33H42O6
Num Rotatable Bonds
12