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
- 462
- Core Entity Id
- 3707
- Source Entity Count
- 1
- Preferred Name
- 2,3-dihydro-7,7''-dimethoxyamentoflavone
- Name En
- Pubchem Id
- 11092980
- Smiles Canonical
- COC1=CC(=C2C(=O)CC(OC2=C1)C3=CC(=C(C=C3)O)C4=C(C=C(C5=C4OC(=CC5=O)C6=CC=C(C=C6)O)O)OC)O
- Molecular Formula
- C32H24O10
- Molecular Weight
- 568.5340
- Inchikey
- BIJBQEYNZGINJR-UHFFFAOYSA-N
- Inchi
- InChI=1S/C32H24O10/c1-39-18-10-21(35)30-22(36)12-26(41-28(30)11-18)16-5-8-20(34)19(9-16)29-27(40-2)14-24(38)31-23(37)13-25(42-32(29)31)15-3-6-17(33)7-4-15/h3-11,13-14,26,33-35,38H,12H2,1-2H3
- Isomeric Smiles
- COC1=CC(=C2C(=O)CC(OC2=C1)C3=CC(=C(C=C3)O)C4=C(C=C(C5=C4OC(=CC5=O)C6=CC=C(C=C6)O)O)OC)O
- Cas Id
- Ob Score
- Mol Logp
- 5.6731
- Num H Donors
- 4
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.2080
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2,3-Dihydro-7,7''-dimethoxyamentoflavone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2,3-dihydro-7,7''-dimethoxyamentoflavone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2,3-dihydro-7,7''-dimethoxyamentoflavone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
云南穗花杉
Role
TCM_name
Source
TCMBank
Preferred
No
Name
YUN NAN SUI HUA SHAN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Yunnan Amentotaxus
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
云南穗花杉YUN NAN SUI HUA SHANYunnan Amentotaxus
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN004001
Tcmid
5599
Pub Chem
11092980
Tcmbank
TCMBANKIN046850
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C32H24O10/c1-39-18-10-21(35)30-22(36)12-26(41-28(30)11-18)16-5-8-20(34)19(9-16)29-27(40-2)14-24(38)31-23(37)13-25(42-32(29)31)15-3-6-17(33)7-4-15/h3-11,13-14,26,33-35,38H,12H2,1-2H3
Mol Wt
568.5340000000003
Mol Log P
5.673100000000006
In Ch Ikey
BIJBQEYNZGINJR-UHFFFAOYSA-N
Tcm Name
云南穗花杉
Tcm Name2
YUN NAN SUI HUA SHAN
Mol2 Path
/TCM_database/2007_3d_all/05600.mol2
Reference
4707
Num Hdonors
4
Tcm Name En
Yunnan Amentotaxus
Drug Likeness
0.208
Num Hacceptors
10
Isomeric Smiles
COC1=CC(=C2C(=O)CC(OC2=C1)C3=CC(=C(C=C3)O)C4=C(C=C(C5=C4OC(=CC5=O)C6=CC=C(C=C6)O)O)OC)O
Canonical Smiles
COC1=CC(=C2C(=O)CC(OC2=C1)C3=CC(=C(C=C3)O)C4=C(C=C(C5=C4OC(=CC5=O)C6=CC=C(C=C6)O)O)OC)O
Molecular Weight
568.5 g/mol
Molecular Formula
C32H24O10
Num Rotatable Bonds
5