ITCMDBv1
IngredientID 34484

Tanariflavanone a

C30H36O7

Back to Browse

Relationship Network

Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.

Click a node to open it in a new tab
Herb: 1Ingredient: 1Links: 1
Arranging relationship network...

Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
34484
Core Entity Id
41525
Source Entity Count
1
Preferred Name
Tanariflavanone a
Name En
Pubchem Id
11730903
Smiles Canonical
CC(=CCCC(=CCC1=C(C=CC(=C1O)O)C2CC(=O)C3=C(O2)C=C4C(=C3O)CC(C(O4)(C)C)O)C)C
Molecular Formula
C30H36O7
Molecular Weight
508.6110
Inchikey
BTDKFPKJPIGYFD-NBNDFHJKSA-N
Inchi
InChI=1S/C30H36O7/c1-16(2)7-6-8-17(3)9-10-19-18(11-12-21(31)28(19)34)23-14-22(32)27-25(36-23)15-24-20(29(27)35)13-26(33)30(4,5)37-24/h7,9,11-12,15,23,26,31,33-35H,6,8,10,13-14H2,1-5H3/b17-9+/t23-,26?/m0/s1
Isomeric Smiles
CC(=CCC/C(=C/CC1=C(C=CC(=C1O)O)[C@@H]2CC(=O)C3=C(O2)C=C4C(=C3O)CC(C(O4)(C)C)O)/C)C
Cas Id
Ob Score
Mol Logp
5.8195
Num H Donors
4
Num H Acceptors
7
Num Rotatable Bonds
6
Drug Likeness
0.2870
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name
Tanariflavanone a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Tanariflavanone a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
tanariflavanone a
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2S)-2'-geranyl-5,3',4'-trihydroxy-6,7-(2,2-dimethyl-3-hydroxychromano)flavanone
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S)-2'-geranyl-5,3',4'-trihydroxy-6,7-(2,2-dimethyl-3-hydroxychromano)flavanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
(8S)-8-(2-((2E)-3,7-dimethylocta-2,6-dien-1-yl)-3,4-dihydroxyphenyl)-3,5-dihydroxy-2,2-dimethyl-3,4,7,8-tetrahydro-2H,6H-pyrano(3,2-)chromen-6-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(8S)-8-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,4-dihydroxyphenyl]-3,5-dihydroxy-2,2-dimethyl-3,4,7,8-tetrahydropyrano[3,2-g]chromen-6-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(8S)-8-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,4-dihydroxyphenyl]-3,5-dihydroxy-2,2-dimethyl-3,4,7,8-tetrahydropyrano[3,2-g]chromen-6-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(8S)-8-{2-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-3,4-dihydroxyphenyl}-3,5-dihydroxy-2,2-dimethyl-3,4,7,8-tetrahydro-2H,6H-pyrano[3,2-]chromen-6-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5,3',4'-Trihydroxy-2'-geranyl-(5''-hydroxy-6'',6''-dimethyldihydropyrano[2'',3'':7,6])flavanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,3',4'-Trihydroxy-2'-geranyl-(5''-hydroxy-6'',6''-dimethyldihydropyrano[2'',3'':7,6])flavanone
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:66188
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:66188
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPK12140429
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPK12140429
Role
alias
Source
itcmdb_public
Preferred
No
Name
Q27134722
Role
alias
Source
itcmdb_public
Preferred
No
Name
Q27134722
Role
alias
Source
HERB_v2
Preferred
No

Aliases

Additional names normalized into the restored final schema.

(2S)-2'-geranyl-5,3',4'-trihydroxy-6,7-(2,2-dimethyl-3-hydroxychromano)flavanone(8S)-8-(2-((2E)-3,7-dimethylocta-2,6-dien-1-yl)-3,4-dihydroxyphenyl)-3,5-dihydroxy-2,2-dimethyl-3,4,7,8-tetrahydro-2H,6H-pyrano(3,2-)chromen-6-one(8S)-8-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,4-dihydroxyphenyl]-3,5-dihydroxy-2,2-dimethyl-3,4,7,8-tetrahydropyrano[3,2-g]chromen-6-one(8S)-8-{2-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-3,4-dihydroxyphenyl}-3,5-dihydroxy-2,2-dimethyl-3,4,7,8-tetrahydro-2H,6H-pyrano[3,2-]chromen-6-one5,3',4'-Trihydroxy-2'-geranyl-(5''-hydroxy-6'',6''-dimethyldihydropyrano[2'',3'':7,6])flavanoneCHEBI:66188LMPK12140429Q27134722

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN045466
Npass
NPC231714
Tcmid
20651
Pub Chem
11730903
Tcmbank
TCMBANKIN044728

Attributes

Merged source attributes and domain-specific metadata.

In Ch I
InChI=1S/C30H36O7/c1-16(2)7-6-8-17(3)9-10-19-18(11-12-21(31)28(19)34)23-14-22(32)27-25(36-23)15-24-20(29(27)35)13-26(33)30(4,5)37-24/h7,9,11-12,15,23,26,31,33-35H,6,8,10,13-14H2,1-5H3/b17-9+/t23-,26?/m0/s1
Mol Wt
508.6110000000004
Smiles
CC(=CCCC(=CCC1=C(C=CC(=C1O)O)C2CC(=O)C3=C(O2)C=C4C(=C3O)CC(C(O4)(C)C)O)C)C
Mol Log P
5.819500000000009
In Ch Ikey
BTDKFPKJPIGYFD-NBNDFHJKSA-N
Mol2 Path
/TCM_database/2007_3d_all/20667.mol2
Reference
3062
Num Hdonors
4
Drug Likeness
0.287
Num Hacceptors
7
Isomeric Smiles
CC(=CCC/C(=C/CC1=C(C=CC(=C1O)O)[C@@H]2CC(=O)C3=C(O2)C=C4C(=C3O)CC(C(O4)(C)C)O)/C)C
Canonical Smiles
CC(=CCCC(=CCC1=C(C=CC(=C1O)O)C2CC(=O)C3=C(O2)C=C4C(=C3O)CC(C(O4)(C)C)O)C)C
Herb Alias Names
CHEBI:66188(2S)-2'-geranyl-5,3',4'-trihydroxy-6,7-(2,2-dimethyl-3-hydroxychromano)flavanone(8S)-8-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,4-dihydroxyphenyl]-3,5-dihydroxy-2,2-dimethyl-3,4,7,8-tetrahydropyrano[3,2-g]chromen-6-one(8S)-8-{2-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-3,4-dihydroxyphenyl}-3,5-dihydroxy-2,2-dimethyl-3,4,7,8-tetrahydro-2H,6H-pyrano[3,2-]chromen-6-one5,3',4'-Trihydroxy-2'-geranyl-(5''-hydroxy-6'',6''-dimethyldihydropyrano[2'',3'':7,6])flavanone(8S)-8-(2-((2E)-3,7-dimethylocta-2,6-dien-1-yl)-3,4-dihydroxyphenyl)-3,5-dihydroxy-2,2-dimethyl-3,4,7,8-tetrahydro-2H,6H-pyrano(3,2-)chromen-6-one(8S)-8-(2-((2E)-3,7-dimethylocta-2,6-dienyl)-3,4-dihydroxyphenyl)-3,5-dihydroxy-2,2-dimethyl-3,4,7,8-tetrahydropyrano(3,2-g)chromen-6-oneLMPK12140429Q27134722
Molecular Weight
508.6 g/mol
Molecular Formula
C30H36O7
Molecular Formula
C30H36O7
Num Rotatable Bonds
6