Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 37424
- Core Entity Id
- 56211
- Source Entity Count
- 1
- Preferred Name
- 10alpha-h-furanoligularenone
- Name En
- Pubchem Id
- 5317430
- Smiles Canonical
- CC1C(=O)C=CC2C1(CC3=C(C2)OC=C3C)C
- Molecular Formula
- C15H18O2
- Molecular Weight
- 230.3070
- Inchikey
- KLBNCPFQVXNPFQ-ZYTVVRLJSA-N
- Inchi
- InChI=1S/C15H18O2/c1-9-8-17-14-6-11-4-5-13(16)10(2)15(11,3)7-12(9)14/h4-5,8,10-11H,6-7H2,1-3H3/t10-,11?,15+/m0/s1
- Isomeric Smiles
- C[C@H]1C(=O)C=CC2[C@@]1(CC3=C(C2)OC=C3C)C
- Cas Id
- Ob Score
- Mol Logp
- 3.0841
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.6850
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
10-alpha-H-Furanoligularenone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
10alpha-h-furanoligularenone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
10alpha-h-furanoligularenone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
10alpha-h-furanoligularenone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(4aS,5R)-3,4a,5-trimethyl-4,5,8a,9-tetrahydrobenzo[][1]benzouran-6-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(4aS,5R)-3,4a,5-trimethyl-4,5,8a,9-tetrahydrobenzo[][1]benzouran-6-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
10α-h-furanoligularenone
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:228943
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:228943
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
10-alpha-H-Furanoligularenone(4aS,5R)-3,4a,5-trimethyl-4,5,8a,9-tetrahydrobenzo[][1]benzouran-6-one10α-h-furanoligularenoneCHEBI:228943
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN000052
Npass
NPC62199
Tcmid
309878019
Pub Chem
5317430
Tcmbank
TCMBANKIN018261
Etcm Ingredient
10-alpha-H-Furanoligularenone
Itcmdb Generated
ITX-INGREDIENT-29E4A0002372
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H18O2/c1-9-8-17-14-6-11-4-5-13(16)10(2)15(11,3)7-12(9)14/h4-5,8,10-11H,6-7H2,1-3H3/t10-,11?,15+/m0/s1
Mol Wt
230.307
Smiles
CC1C(=O)C=CC2C1(CC3=C(C2)OC=C3C)C
Mol Log P
3.084120000000001
In Ch Ikey
KLBNCPFQVXNPFQ-ZYTVVRLJSA-N
Num Hdonors
0
Drug Likeness
0.685
Num Hacceptors
2
Isomeric Smiles
C[C@H]1C(=O)C=CC2[C@@]1(CC3=C(C2)OC=C3C)C
Canonical Smiles
CC1C(=O)C=CC2C1(CC3=C(C2)OC=C3C)C
Herb Alias Names
CHEBI:228943(4aS,5R)-3,4a,5-trimethyl-4,5,8a,9-tetrahydrobenzo[][1]benzouran-6-one
Molecular Weight
230.130
Molecular Formula
C15H18O2
Molecular Formula
C15H18O2
Molecular Formula
C15H18O2
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.030
Quantitative Estimate Of Drug Likeness（Qed）
0.640