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
- 13027
- Core Entity Id
- 17649
- Source Entity Count
- 1
- Preferred Name
- Broussoflavonol d
- Name En
- Pubchem Id
- 14542432
- Smiles Canonical
- CC(=CCC1=C2C=CC(OC2=C(C=C1C3=C(C(=O)C4=C(O3)C(=C(C=C4O)O)C(C)(C)C=C)O)O)(C)C)C
- Molecular Formula
- C30H32O7
- Molecular Weight
- 504.5790
- Inchikey
- FAVGADQXPDBFQP-UHFFFAOYSA-N
- Inchi
- InChI=1S/C30H32O7/c1-8-29(4,5)23-20(32)14-19(31)22-24(34)25(35)27(36-28(22)23)18-13-21(33)26-17(11-12-30(6,7)37-26)16(18)10-9-15(2)3/h8-9,11-14,31-33,35H,1,10H2,2-7H3
- Isomeric Smiles
- CC(=CCC1=C2C=CC(OC2=C(C=C1C3=C(C(=O)C4=C(O3)C(=C(C=C4O)O)C(C)(C)C=C)O)O)(C)C)C
- Cas Id
- 104494-30-6
- Ob Score
- Mol Logp
- 6.4389
- Num H Donors
- 4
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.2950
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Broussoflavonol D
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Broussoflavonol d
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Broussoflavonol d
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
broussoflavonol d
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3,5,7-trihydroxy-2-(8-hydroxy-2,2-dimethyl-5-(3-methylbut-2-enyl)chromen-6-yl)-8-(2-methylbut-3-en-2-yl)chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,5,7-trihydroxy-2-[8-hydroxy-2,2-dimethyl-5-(3-methylbut-2-enyl)chromen-6-yl]-8-(2-methylbut-3-en-2-yl)chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:179727
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:179727
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPK12112294
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMPK12112294
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
3,5,7-trihydroxy-2-(8-hydroxy-2,2-dimethyl-5-(3-methylbut-2-enyl)chromen-6-yl)-8-(2-methylbut-3-en-2-yl)chromen-4-one3,5,7-trihydroxy-2-[8-hydroxy-2,2-dimethyl-5-(3-methylbut-2-enyl)chromen-6-yl]-8-(2-methylbut-3-en-2-yl)chromen-4-oneCHEBI:179727LMPK12112294
Cross References
Trusted external identifiers retained for this final record.
Cas
104494-30-6
Herb
HBIN018869
Npass
NPC253563
Tcmid
2634
Tcm Id
6114
Pub Chem
14542432
Tcmbank
TCMBANKIN046476
Etcm Ingredient
Broussoflavonol D
Itcmdb Generated
ITX-INGREDIENT-68DCC09EA045
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C30H32O7/c1-8-29(4,5)23-20(32)14-19(31)22-24(34)25(35)27(36-28(22)23)18-13-21(33)26-17(11-12-30(6,7)37-26)16(18)10-9-15(2)3/h8-9,11-14,31-33,35H,1,10H2,2-7H3
Mol Wt
504.5790000000003
Cas Id
104494-30-6
Smiles
CC(=CCC1=C2C=CC(OC2=C(C=C1C3=C(C(=O)C4=C(O3)C(=C(C=C4O)O)C(C)(C)C=C)O)O)(C)C)C
Mol Log P
6.438900000000007
In Ch Ikey
FAVGADQXPDBFQP-UHFFFAOYSA-N
Mol2 Path
/TCM_database/2007_3d_all/02634.mol2
Reference
660
Num Hdonors
4
Drug Likeness
0.295
Num Hacceptors
7
Isomeric Smiles
CC(=CCC1=C2C=CC(OC2=C(C=C1C3=C(C(=O)C4=C(O3)C(=C(C=C4O)O)C(C)(C)C=C)O)O)(C)C)C
Canonical Smiles
CC(=CCC1=C2C=CC(OC2=C(C=C1C3=C(C(=O)C4=C(O3)C(=C(C=C4O)O)C(C)(C)C=C)O)O)(C)C)C
Herb Alias Names
3,5,7-trihydroxy-2-[8-hydroxy-2,2-dimethyl-5-(3-methylbut-2-enyl)chromen-6-yl]-8-(2-methylbut-3-en-2-yl)chromen-4-one3,5,7-trihydroxy-2-(8-hydroxy-2,2-dimethyl-5-(3-methylbut-2-enyl)chromen-6-yl)-8-(2-methylbut-3-en-2-yl)chromen-4-oneCHEBI:179727LMPK12112294
Molecular Weight
504.210
Molecular Weight
504.57
Molecular Formula
C30H32O7
Molecular Formula
C30H32O7
Molecular Formula
C30H32O7
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.819
Quantitative Estimate Of Drug Likeness（Qed）
0.295