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
- 19124
- Core Entity Id
- 24436
- Source Entity Count
- 1
- Preferred Name
- Faurine
- Name En
- Pubchem Id
- 10625428
- Smiles Canonical
- CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)OC)OC5=CC(=C(C=C5CO)OC)OC)OC
- Molecular Formula
- C29H33NO7
- Molecular Weight
- 507.5830
- Inchikey
- FSJKQGGXOQBDIY-IBGZPJMESA-N
- Inchi
- InChI=1S/C29H33NO7/c1-30-10-9-17-12-24(35-5)29(37-21-14-23(34-4)22(33-3)13-18(21)15-31)27-25(17)19(30)11-16-7-8-20(32-2)28(36-6)26(16)27/h7-8,12-14,19,31H,9-11,15H2,1-6H3/t19-/m0/s1
- Isomeric Smiles
- CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)OC)OC5=CC(=C(C=C5CO)OC)OC)OC
- Cas Id
- Ob Score
- Mol Logp
- 4.7663
- Num H Donors
- 1
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 8
- Drug Likeness
- 0.4670
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Faurine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Faurine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
faurine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2-(((6aS)-2,10,11-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo(de,g)quinolin-1-yl)oxy)-4,5-dimethoxyphenyl)methanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
[2-[[(6aS)-2,10,11-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-yl]oxy]-4,5-dimethoxyphenyl]methanol
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2-(((6aS)-2,10,11-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo(de,g)quinolin-1-yl)oxy)-4,5-dimethoxyphenyl)methanol[2-[[(6aS)-2,10,11-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-yl]oxy]-4,5-dimethoxyphenyl]methanol
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN026404
Tcmid
39478
Pub Chem
10625428
Tcmbank
TCMBANKIN005661
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C29H33NO7/c1-30-10-9-17-12-24(35-5)29(37-21-14-23(34-4)22(33-3)13-18(21)15-31)27-25(17)19(30)11-16-7-8-20(32-2)28(36-6)26(16)27/h7-8,12-14,19,31H,9-11,15H2,1-6H3/t19-/m0/s1
Mol Wt
507.5830000000004
Smiles
CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)OC)OC5=CC(=C(C=C5CO)OC)OC)OC
Mol Log P
4.766300000000005
In Ch Ikey
FSJKQGGXOQBDIY-IBGZPJMESA-N
Num Hdonors
1
Drug Likeness
0.467
Num Hacceptors
8
Isomeric Smiles
CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)OC)OC5=CC(=C(C=C5CO)OC)OC)OC
Canonical Smiles
CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)OC)OC5=CC(=C(C=C5CO)OC)OC)OC
Herb Alias Names
[2-[[(6aS)-2,10,11-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-yl]oxy]-4,5-dimethoxyphenyl]methanol(2-(((6aS)-2,10,11-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo(de,g)quinolin-1-yl)oxy)-4,5-dimethoxyphenyl)methanol
Molecular Weight
507.6 g/mol
Molecular Formula
C29H33NO7
Molecular Formula
C29H33NO7
Num Rotatable Bonds
8