Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 5631
- Core Entity Id
- 9449
- Source Entity Count
- 1
- Preferred Name
- Dihydropyrocurzerenone
- Name En
- Pubchem Id
- 91734838
- Smiles Canonical
- CC1CCC2=C(C1)C3=C(C=C2C)OC=C3C
- Molecular Formula
- C15H18O
- Molecular Weight
- 214.3080
- Inchikey
- GWQCNWWIXOLIAV-SECBINFHSA-N
- Inchi
- InChI=1S/C15H18O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h7-9H,4-6H2,1-3H3/t9-/m1/s1
- Isomeric Smiles
- C[C@@H]1CCC2=C(C1)C3=C(C=C2C)OC=C3C
- Cas Id
- Ob Score
- 27.1857
- Mol Logp
- 4.1744
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.6410
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Dihydropyrocurzerenone
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
4,5-Dihydropyrocurzerenone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
4,5-dihydropyrocurzerenone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
4,5-dihydropyrocurzerenone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Dihydropyrocurzerenone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Dihydropyrocurzerenone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Dihydropyrocurzerenone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
dihydropyrocurzerenone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
及己
Role
TCM_name
Source
TCMBank
Preferred
No
Name
JI JI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Serrate Chloranthus
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(8R)-1,5,8-trimethyl-6,7,8,9-tetrahydrobenzo(e)(1)benzofuran
Role
alias
Source
itcmdb_public
Preferred
No
Name
(8R)-1,5,8-trimethyl-6,7,8,9-tetrahydrobenzo[e][1]benzofuran
Role
alias
Source
HERB_v2
Preferred
No
Name
(R)-1,5,8-Trimethyl-6,7,8,9-tetrahydronaphtho(2,1-b)furan
Role
alias
Source
itcmdb_public
Preferred
No
Name
(R)-1,5,8-Trimethyl-6,7,8,9-tetrahydronaphtho[2,1-b]furan
Role
alias
Source
HERB_v2
Preferred
No
Name
59462-26-9
Role
alias
Source
HERB_v2
Preferred
No
Name
59462-26-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
Dihydropyrocurzerenone
Role
alias
Source
HERB_v2
Preferred
No
Name
Dihydropyrocurzerenone
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-N8757
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-N8757
Role
alias
Source
HERB_v2
Preferred
No
Name
Naphtho[2,1-b]furan, 6,7,8,9-tetrahydro-1,5,8-trimethyl-, (8R)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Naphtho[2,1-b]furan, 6,7,8,9-tetrahydro-1,5,8-trimethyl-, (8R)-
Role
alias
Source
HERB_v2
Preferred
No
Name
Pyrocurzerenone, dihydro-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Pyrocurzerenone, dihydro-
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
4,5-Dihydropyrocurzerenone及己JI JISerrate Chloranthus(8R)-1,5,8-trimethyl-6,7,8,9-tetrahydrobenzo(e)(1)benzofuran(8R)-1,5,8-trimethyl-6,7,8,9-tetrahydrobenzo[e][1]benzofuran(R)-1,5,8-Trimethyl-6,7,8,9-tetrahydronaphtho(2,1-b)furan(R)-1,5,8-Trimethyl-6,7,8,9-tetrahydronaphtho[2,1-b]furan59462-26-9HY-N8757Naphtho[2,1-b]furan, 6,7,8,9-tetrahydro-1,5,8-trimethyl-, (8R)-Pyrocurzerenone, dihydro-
Cross References
Trusted external identifiers retained for this final record.
Cas
59462-26-9
Herb
HBIN010011HBIN023969
Npass
NPC138556NPC247394
Tcmid
337165696
Tcmsp
MOL001154
Sym Map
SMIT03622
Pub Chem
91734838
Tcmbank
TCMBANKIN035362
Etcm Ingredient
dihydropyrocurzerenone
Itcmdb Generated
ITX-INGREDIENT-366923C57C89ITX-INGREDIENT-D1D0E12D1101
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H18O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h7-9H,4-6H2,1-3H3/t9-/m1/s1
Mol Wt
214.308
Mol Log P
4.174440000000003
Version
v1,v2
In Ch Ikey
GWQCNWWIXOLIAV-SECBINFHSA-N
Ob Score
27.1856674527.186
Suppress
0
Tcm Name
及己
Tcm Name2
JI JI
Mol2 Path
/TCM_database/2007_3d_all/05697.mol2
Reference
3122
Num Hdonors
0
Tcm Name En
Serrate Chloranthus
Drug Likeness
0.641
Num Hacceptors
1
Isomeric Smiles
C[C@@H]1CCC2=C(C1)C3=C(C=C2C)OC=C3C
Molecule Weight
214.33
Canonical Smiles
CC1CCC2=C(C1)C3=C(C=C2C)OC=C3C
Herb Alias Names
Dihydropyrocurzerenone59462-26-9Pyrocurzerenone, dihydro-(8R)-1,5,8-trimethyl-6,7,8,9-tetrahydrobenzo[e][1]benzofuran(R)-1,5,8-Trimethyl-6,7,8,9-tetrahydronaphtho[2,1-b]furanNaphtho[2,1-b]furan, 6,7,8,9-tetrahydro-1,5,8-trimethyl-, (8R)-(R)-1,5,8-Trimethyl-6,7,8,9-tetrahydronaphtho(2,1-b)furan(8R)-1,5,8-trimethyl-6,7,8,9-tetrahydrobenzo(e)(1)benzofuranNaphtho(2,1-b)furan, 6,7,8,9-tetrahydro-1,5,8-trimethyl-, (8R)-HY-N8757
Molecular Weight
214.140
Molecular Formula
C15H18O
Molecular Formula
C15H18O
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.491
Quantitative Estimate Of Drug Likeness（Qed）
0.641