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
- 19240
- Core Entity Id
- 24564
- Source Entity Count
- 1
- Preferred Name
- Flavidusin a
- Name En
- Pubchem Id
- 15381689
- Smiles Canonical
- CC1(CCCC2(C1CCC3=CC(CCC32)(C)C(CO)O)C)C
- Molecular Formula
- C20H34O2
- Molecular Weight
- 306.4900
- Inchikey
- WSYMNFBVLKNIMC-NPZYAJIESA-N
- Inchi
- InChI=1S/C20H34O2/c1-18(2)9-5-10-20(4)15-8-11-19(3,17(22)13-21)12-14(15)6-7-16(18)20/h12,15-17,21-22H,5-11,13H2,1-4H3/t15-,16-,17?,19-,20+/m0/s1
- Isomeric Smiles
- C[C@@]1(CC[C@H]2C(=C1)CC[C@@H]3[C@@]2(CCCC3(C)C)C)C(CO)O
- Cas Id
- Ob Score
- Mol Logp
- 4.3087
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.7460
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Flavidusin a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Flavidusin a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
flavidusin a
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN026540
Tcmid
7811
Pub Chem
15381689
Tcmbank
TCMBANKIN039833
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H34O2/c1-18(2)9-5-10-20(4)15-8-11-19(3,17(22)13-21)12-14(15)6-7-16(18)20/h12,15-17,21-22H,5-11,13H2,1-4H3/t15-,16-,17?,19-,20+/m0/s1
Mol Wt
306.49
Smiles
CC1(CCCC2(C1CCC3=CC(CCC32)(C)C(CO)O)C)C
Mol Log P
4.308700000000004
In Ch Ikey
WSYMNFBVLKNIMC-NPZYAJIESA-N
Mol2 Path
/TCM_database/2007_3d_all/07812.mol2
Reference
4067
Num Hdonors
2
Drug Likeness
0.746
Num Hacceptors
2
Isomeric Smiles
C[C@@]1(CC[C@H]2C(=C1)CC[C@@H]3[C@@]2(CCCC3(C)C)C)C(CO)O
Canonical Smiles
CC1(CCCC2(C1CCC3=CC(CCC32)(C)C(CO)O)C)C
Molecular Weight
306.5 g/mol
Molecular Formula
C20H34O2
Molecular Formula
C20H34O2
Num Rotatable Bonds
2