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
- 28287
- Core Entity Id
- 34627
- Source Entity Count
- 1
- Preferred Name
- Odoratisol c
- Name En
- Pubchem Id
- 11523033
- Smiles Canonical
- CC1C(C(OC1C2=CC(=C(C=C2)O)OC)C3=CC(=C(C=C3)O)OC)C
- Molecular Formula
- C20H24O5
- Molecular Weight
- 344.4070
- Inchikey
- GMXMKSFJQLFOSO-MWRFHTASSA-N
- Inchi
- InChI=1S/C20H24O5/c1-11-12(2)20(14-6-8-16(22)18(10-14)24-4)25-19(11)13-5-7-15(21)17(9-13)23-3/h5-12,19-22H,1-4H3/t11-,12-,19-,20+/m1/s1
- Isomeric Smiles
- C[C@@H]1[C@H]([C@H](O[C@H]1C2=CC(=C(C=C2)O)OC)C3=CC(=C(C=C3)O)OC)C
- Cas Id
- Ob Score
- Mol Logp
- 4.1998
- Num H Donors
- 2
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.8700
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Odoratisol C
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Odoratisol c
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Odoratisol c
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
极香润楠
Role
TCM_name
Source
TCMBank
Preferred
No
Name
JI XIANG RUN NAN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Extreme-fragrant Machilus*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(-)-Odoratisol C
Role
alias
Source
HERB_v2
Preferred
No
Name
(-)-Odoratisol C
Role
alias
Source
itcmdb_public
Preferred
No
Name
(-)-Verrucosin
Role
alias
Source
itcmdb_public
Preferred
No
Name
(-)-Verrucosin
Role
alias
Source
HERB_v2
Preferred
No
Name
4-((2R,3R,4R,5S)-5-(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl)-2-methoxyphenol
Role
alias
Source
HERB_v2
Preferred
No
Name
4-[(2R,3R,4R,5S)-5-(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
891182-95-9
Role
alias
Source
HERB_v2
Preferred
No
Name
891182-95-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
Phenol, 4,4'-((2R,3R,4R,5S)-tetrahydro-3,4-dimethyl-2,5-furandiyl)bis(2-methoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
Phenol, 4,4'-((2R,3R,4R,5S)-tetrahydro-3,4-dimethyl-2,5-furandiyl)bis(2-methoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
极香润楠JI XIANG RUN NANExtreme-fragrant Machilus*(-)-Odoratisol C(-)-Verrucosin4-((2R,3R,4R,5S)-5-(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl)-2-methoxyphenol4-[(2R,3R,4R,5S)-5-(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol891182-95-9Phenol, 4,4'-((2R,3R,4R,5S)-tetrahydro-3,4-dimethyl-2,5-furandiyl)bis(2-methoxy-
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN037834
Npass
NPC169595
Tcmid
15986
Pub Chem
11523033
Tcmbank
TCMBANKIN042855
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H24O5/c1-11-12(2)20(14-6-8-16(22)18(10-14)24-4)25-19(11)13-5-7-15(21)17(9-13)23-3/h5-12,19-22H,1-4H3/t11-,12-,19-,20+/m1/s1
Mol Wt
344.407
Mol Log P
4.199800000000003
In Ch Ikey
GMXMKSFJQLFOSO-MWRFHTASSA-N
Tcm Name
极香润楠
Tcm Name2
JI XIANG RUN NAN
Mol2 Path
/TCM_database/2007_3d_all/15996.mol2
Reference
2070
Num Hdonors
2
Tcm Name En
Extreme-fragrant Machilus*
Drug Likeness
0.87
Num Hacceptors
5
Isomeric Smiles
C[C@@H]1[C@H]([C@H](O[C@H]1C2=CC(=C(C=C2)O)OC)C3=CC(=C(C=C3)O)OC)C
Canonical Smiles
CC1C(C(OC1C2=CC(=C(C=C2)O)OC)C3=CC(=C(C=C3)O)OC)C
Herb Alias Names
(-)-Verrucosin(-)-Odoratisol C891182-95-9Phenol, 4,4'-((2R,3R,4R,5S)-tetrahydro-3,4-dimethyl-2,5-furandiyl)bis(2-methoxy-4-((2R,3R,4R,5S)-5-(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl)-2-methoxyphenol4-[(2R,3R,4R,5S)-5-(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol
Molecular Weight
344.4 g/mol
Molecular Formula
C20H24O5
Num Rotatable Bonds
4