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
- 7484
- Core Entity Id
- 11500
- Source Entity Count
- 1
- Preferred Name
- 6-angeloylfuranofukinol
- Name En
- Pubchem Id
- 6374435
- Smiles Canonical
- CC=C(C)C(=O)OC1C2=C(CC3C1(C(C(CC3)O)C)C)OC=C2C
- Molecular Formula
- C20H28O4
- Molecular Weight
- 332.4400
- Inchikey
- QSXNOUPYXMWUKT-IZZDOVSWSA-N
- Inchi
- InChI=1S/C20H28O4/c1-6-11(2)19(22)24-18-17-12(3)10-23-16(17)9-14-7-8-15(21)13(4)20(14,18)5/h6,10,13-15,18,21H,7-9H2,1-5H3/b11-6+
- Isomeric Smiles
- C/C=C(\C)/C(=O)OC1C2=C(CC3C1(C(C(CC3)O)C)C)OC=C2C
- Cas Id
- Ob Score
- Mol Logp
- 4.1079
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.6540
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
6-Angeloylfuranofukinol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
6-angeloylfuranofukinol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
6-angeloylfuranofukinol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
6-angeloylfuranofukinol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(6-hydroxy-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[][1]benzouran-4-yl) (E)-2-methylbut-2-enoate
Role
alias
Source
HERB_v2
Preferred
No
Name
(6-hydroxy-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[][1]benzouran-4-yl) (E)-2-methylbut-2-enoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
(6-hydroxy-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f]benzofuran-4-yl) (E)-2-methylbut-2-enoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
(6-hydroxy-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f]benzofuran-4-yl) (E)-2-methylbut-2-enoate
Role
alias
Source
HERB_v2
Preferred
No
Name
6-Hydroxy-3,4a,5-trimethyl-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-b]furan-4-yl 2-methyl-2-butenoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-Hydroxy-3,4a,5-trimethyl-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-b]furan-4-yl 2-methyl-2-butenoate
Role
alias
Source
HERB_v2
Preferred
No
Name
6-hydroxy-3,4a,5-trimethyl-4H,4aH,5H,6H,7H,8H,8aH,9H-naphtho[2,3-b]furan-4-yl (2E)-2-methylbut-2-enoate
Role
alias
Source
HERB_v2
Preferred
No
Name
6-hydroxy-3,4a,5-trimethyl-4H,4aH,5H,6H,7H,8H,8aH,9H-naphtho[2,3-b]furan-4-yl (2E)-2-methylbut-2-enoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:191623
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:191623
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC672987
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC672987
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(6-hydroxy-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[][1]benzouran-4-yl) (E)-2-methylbut-2-enoate(6-hydroxy-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f]benzofuran-4-yl) (E)-2-methylbut-2-enoate6-Hydroxy-3,4a,5-trimethyl-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-b]furan-4-yl 2-methyl-2-butenoate6-hydroxy-3,4a,5-trimethyl-4H,4aH,5H,6H,7H,8H,8aH,9H-naphtho[2,3-b]furan-4-yl (2E)-2-methylbut-2-enoateCHEBI:191623NSC672987
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN012218
Npass
NPC98956
Tcmid
1205
Pub Chem
6374435
Tcmbank
TCMBANKIN022539
Etcm Ingredient
6-Angeloylfuranofukinol
Itcmdb Generated
ITX-INGREDIENT-E82B4C1399C8
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H28O4/c1-6-11(2)19(22)24-18-17-12(3)10-23-16(17)9-14-7-8-15(21)13(4)20(14,18)5/h6,10,13-15,18,21H,7-9H2,1-5H3/b11-6+
Mol Wt
332.4400000000001
Smiles
CC=C(C)C(=O)OC1C2=C(CC3C1(C(C(CC3)O)C)C)OC=C2C
Mol Log P
4.107920000000004
In Ch Ikey
QSXNOUPYXMWUKT-IZZDOVSWSA-N
Num Hdonors
1
Drug Likeness
0.654
Num Hacceptors
4
Isomeric Smiles
C/C=C(\C)/C(=O)OC1C2=C(CC3C1(C(C(CC3)O)C)C)OC=C2C
Canonical Smiles
CC=C(C)C(=O)OC1C2=C(CC3C1(C(C(CC3)O)C)C)OC=C2C
Herb Alias Names
NSC672987CHEBI:191623(6-hydroxy-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[][1]benzouran-4-yl) (E)-2-methylbut-2-enoate(6-hydroxy-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f]benzofuran-4-yl) (E)-2-methylbut-2-enoate6-Hydroxy-3,4a,5-trimethyl-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-b]furan-4-yl 2-methyl-2-butenoate6-hydroxy-3,4a,5-trimethyl-4H,4aH,5H,6H,7H,8H,8aH,9H-naphtho[2,3-b]furan-4-yl (2E)-2-methylbut-2-enoate
Molecular Weight
332.200
Molecular Weight
332.4 g/mol
Molecular Formula
C20H28O4
Molecular Formula
C20H28O4
Molecular Formula
C20H28O4
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.287
Quantitative Estimate Of Drug Likeness（Qed）
0.654