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
- 13280
- Core Entity Id
- 17929
- Source Entity Count
- 1
- Preferred Name
- Buxifoliadine a
- Name En
- Pubchem Id
- 10740165
- Smiles Canonical
- CC(=CCC1=C2C(=C(C(=C1OC)CC=C(C)C)O)C(=O)C3=C(N2C)C(=CC=C3)O)C
- Molecular Formula
- C25H29NO4
- Molecular Weight
- 407.5100
- Inchikey
- XCHVRLXEQIEULZ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C25H29NO4/c1-14(2)10-12-17-22-20(24(29)18(25(17)30-6)13-11-15(3)4)23(28)16-8-7-9-19(27)21(16)26(22)5/h7-11,27,29H,12-13H2,1-6H3
- Isomeric Smiles
- CC(=CCC1=C2C(=C(C(=C1OC)CC=C(C)C)O)C(=O)C3=C(N2C)C(=CC=C3)O)C
- Cas Id
- Ob Score
- Mol Logp
- 5.1289
- Num H Donors
- 2
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.4540
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Buxifoliadine A
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Buxifoliadine A
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Buxifoliadine a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Buxifoliadine a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
东风橘根
Role
TCM_name
Source
TCMBank
Preferred
No
Name
DONG FENG JU GEN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Boxleaf Atalantia Root
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
1,5-dihydroxy-3-methoxy-10-methyl-2,4-bis(3-methylbut-2-enyl)acridin-9-one
Role
alias
Source
HERB_v2
Preferred
No
Name
1,5-dihydroxy-3-methoxy-10-methyl-2,4-bis(3-methylbut-2-enyl)acridin-9-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
263007-65-4
Role
alias
Source
HERB_v2
Preferred
No
Name
263007-65-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS040763226
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS040763226
Role
alias
Source
HERB_v2
Preferred
No
Name
NCGC00385825-01!1,5-dihydroxy-3-methoxy-10-methyl-2,4-bis(3-methylbut-2-enyl)acridin-9-one
Role
alias
Source
HERB_v2
Preferred
No
Name
NCGC00385825-01!1,5-dihydroxy-3-methoxy-10-methyl-2,4-bis(3-methylbut-2-enyl)acridin-9-one
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
东风橘根DONG FENG JU GENBoxleaf Atalantia Root1,5-dihydroxy-3-methoxy-10-methyl-2,4-bis(3-methylbut-2-enyl)acridin-9-one263007-65-4AKOS040763226NCGC00385825-01!1,5-dihydroxy-3-methoxy-10-methyl-2,4-bis(3-methylbut-2-enyl)acridin-9-one
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN019175
Tcmid
2823
Pub Chem
10740165
Tcmbank
TCMBANKIN038416
Etcm Ingredient
Buxifoliadine A
Itcmdb Generated
ITX-INGREDIENT-B2B4D148B0F2
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C25H29NO4/c1-14(2)10-12-17-22-20(24(29)18(25(17)30-6)13-11-15(3)4)23(28)16-8-7-9-19(27)21(16)26(22)5/h7-11,27,29H,12-13H2,1-6H3
Mol Wt
407.5100000000001
Mol Log P
5.128900000000007
In Ch Ikey
XCHVRLXEQIEULZ-UHFFFAOYSA-N
Tcm Name
东风橘根
Tcm Name2
DONG FENG JU GEN
Mol2 Path
/TCM_database/2007_3d_all/02823.mol2
Reference
3075
Num Hdonors
2
Tcm Name En
Boxleaf Atalantia Root
Drug Likeness
0.454
Num Hacceptors
5
Isomeric Smiles
CC(=CCC1=C2C(=C(C(=C1OC)CC=C(C)C)O)C(=O)C3=C(N2C)C(=CC=C3)O)C
Canonical Smiles
CC(=CCC1=C2C(=C(C(=C1OC)CC=C(C)C)O)C(=O)C3=C(N2C)C(=CC=C3)O)C
Herb Alias Names
263007-65-41,5-dihydroxy-3-methoxy-10-methyl-2,4-bis(3-methylbut-2-enyl)acridin-9-oneAKOS040763226NCGC00385825-01!1,5-dihydroxy-3-methoxy-10-methyl-2,4-bis(3-methylbut-2-enyl)acridin-9-one
Molecular Weight
421.230
Molecular Weight
407.5 g/mol
Molecular Formula
C26H31NO4
Molecular Formula
C25H29NO4
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.146
Quantitative Estimate Of Drug Likeness（Qed）
0.426