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
- 10053
- Core Entity Id
- 14340
- Source Entity Count
- 1
- Preferred Name
- Alfalfa
- Name En
- Pubchem Id
- 170570
- Smiles Canonical
- COC1=CC(=C(C=C1)C2CC3=C(C=C(C=C3)O)OC2)OC
- Molecular Formula
- C17H18O4
- Molecular Weight
- 286.3270
- Inchikey
- TUXCLJQCYVCGDW-LBPRGKRZSA-N
- Inchi
- InChI=1S/C17H18O4/c1-19-14-5-6-15(17(9-14)20-2)12-7-11-3-4-13(18)8-16(11)21-10-12/h3-6,8-9,12,18H,7,10H2,1-2H3/t12-/m0/s1
- Isomeric Smiles
- COC1=CC(=C(C=C1)[C@H]2CC3=C(C=C(C=C3)O)OC2)OC
- Cas Id
- Ob Score
- Mol Logp
- 3.1281
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.9410
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Alfalfa
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Alfalfa
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(-)-Sativan
Role
alias
Source
itcmdb_public
Preferred
No
Name
(-)-Sativan
Role
alias
Source
HERB_v2
Preferred
No
Name
(3R)-3-(2,4-dimethoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
(3R)-3-(2,4-dimethoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(3R)-3-(2,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
(3R)-3-(2,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(R)-3-(2,4-dimethoxyphenyl)chroman-7-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
(R)-3-(2,4-dimethoxyphenyl)chroman-7-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-hydroxy-2',4'-dimethoxyisoflavan
Role
alias
Source
HERB_v2
Preferred
No
Name
2-hydroxy-2',4'-dimethoxyisoflavan
Role
alias
Source
itcmdb_public
Preferred
No
Name
41743-86-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
41743-86-6
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:115
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:115
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID80194577
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID80194577
Role
alias
Source
itcmdb_public
Preferred
No
Name
Sativin
Role
alias
Source
HERB_v2
Preferred
No
Name
Sativin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Sativin (alfalfa)
Role
alias
Source
HERB_v2
Preferred
No
Name
Sativin (alfalfa)
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(-)-Sativan(3R)-3-(2,4-dimethoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-ol(3R)-3-(2,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol(R)-3-(2,4-dimethoxyphenyl)chroman-7-ol2-hydroxy-2',4'-dimethoxyisoflavan41743-86-6CHEBI:115DTXSID80194577SativinSativin (alfalfa)
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN015120
Npass
NPC76394
Tcmid
38472
Pub Chem
170570
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H18O4/c1-19-14-5-6-15(17(9-14)20-2)12-7-11-3-4-13(18)8-16(11)21-10-12/h3-6,8-9,12,18H,7,10H2,1-2H3/t12-/m0/s1
Mol Wt
286.327
Mol Log P
3.128100000000003
In Ch Ikey
TUXCLJQCYVCGDW-LBPRGKRZSA-N
Num Hdonors
1
Drug Likeness
0.941
Num Hacceptors
4
Isomeric Smiles
COC1=CC(=C(C=C1)[C@H]2CC3=C(C=C(C=C3)O)OC2)OC
Canonical Smiles
COC1=CC(=C(C=C1)C2CC3=C(C=C(C=C3)O)OC2)OC
Herb Alias Names
(-)-SativanSativin41743-86-6Sativin (alfalfa)(3R)-3-(2,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol(3R)-3-(2,4-dimethoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-olCHEBI:115DTXSID801945772-hydroxy-2',4'-dimethoxyisoflavan(R)-3-(2,4-dimethoxyphenyl)chroman-7-ol
Molecular Formula
C17H18O4
Num Rotatable Bonds
3